ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine

C29H49N5 — CID 143498306

IUPACethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine
SMILESC=C(C)N1CC2(CCN(C3CCN(C(C)N(C)/C(C)=C(/C)N)CC3)CC2)c2ccccc21.CC
InChIInChI=1S/C27H43N5.C2H6/c1-20(2)32-19-27(25-9-7-8-10-26(25)32)13-17-31(18-14-27)24-11-15-30(16-12-24)23(5)29(6)22(4)21(3)28;1-2/h7-10,23-24H,1,11-19,28H2,2-6H3;1-2H3/b22-21-;
InChIKeyACMXWDDAYCTYMS-SVXKRPBISA-N
MW467.75 g/mol
LogP5.35
Rot. Bonds5

About ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine

ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine (PubChem CID 143498306) has the molecular formula C29H49N5 and a molecular weight of 467.75 g/mol. Its IUPAC name is ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine.

Molecular Properties

Compound Nameethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine
PubChem CID143498306
Molecular FormulaC29H49N5
Molecular Weight467.75 g/mol
Exact Mass467.40
IUPAC Nameethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine
SMILESC=C(C)N1CC2(CCN(C3CCN(C(C)N(C)/C(C)=C(/C)N)CC3)CC2)c2ccccc21.CC
InChIInChI=1S/C27H43N5.C2H6/c1-20(2)32-19-27(25-9-7-8-10-26(25)32)13-17-31(18-14-27)24-11-15-30(16-12-24)23(5)29(6)22(4)21(3)28;1-2/h7-10,23-24H,1,11-19,28H2,2-6H3;1-2H3/b22-21-;
InChIKeyACMXWDDAYCTYMS-SVXKRPBISA-N
XLogP5.35
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.75
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
tert-butyl 1'-(3,6-dimethylcycloheptyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;methanamine
CID 143533103
but-2-ynyl 4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433883
1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 143498458
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23651713
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23650230
methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24798287
but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 143533110
1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
CID 59598967
2,2-dimethylpropyl 3-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59433156

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine?
The IUPAC name of ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine (CID 143498306) is ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine.
What is the SMILES notation for ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine?
The canonical SMILES for ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine is C=C(C)N1CC2(CCN(C3CCN(C(C)N(C)/C(C)=C(/C)N)CC3)CC2)c2ccccc21.CC.
What is the InChIKey of ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine?
The InChIKey is ACMXWDDAYCTYMS-SVXKRPBISA-N. The full InChI is InChI=1S/C27H43N5.C2H6/c1-20(2)32-19-27(25-9-7-8-10-26(25)32)13-17-31(18-14-27)24-11-15-30(16-12-24)23(5)29(6)22(4)21(3)28;1-2/h7-10,23-24H,1,11-19,28H2,2-6H3;1-2H3/b22-21-;.
What are the key properties of ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine?
ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine has a molecular weight of 467.75 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-N-methyl-3-N-[1-[4-(1-prop-1-en-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidin-1-yl]ethyl]but-2-ene-2,3-diamine is sourced from PubChem (CID 143498306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).