1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen

C27H42N4O2 — CID 157252350

IUPAC1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen
SMILESCCC(CC)NC(=O)C1=CC2(CCN(C3CCN(C(=O)N(C)C)CC3)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C27H40N4O2.H2/c1-5-20(6-2)28-25(32)23-19-27(24-10-8-7-9-22(23)24)13-17-30(18-14-27)21-11-15-31(16-12-21)26(33)29(3)4;/h7-10,19-21H,5-6,11-18H2,1-4H3,(H,28,32);1H
InChIKeyAWMHZJMNPHYNAF-UHFFFAOYSA-N
MW454.66 g/mol
LogP4.11
Rot. Bonds5

About 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen

1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen (PubChem CID 157252350) has the molecular formula C27H42N4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen
PubChem CID157252350
Molecular FormulaC27H42N4O2
Molecular Weight454.66 g/mol
Exact Mass454.33
IUPAC Name1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen
SMILESCCC(CC)NC(=O)C1=CC2(CCN(C3CCN(C(=O)N(C)C)CC3)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C27H40N4O2.H2/c1-5-20(6-2)28-25(32)23-19-27(24-10-8-7-9-22(23)24)13-17-30(18-14-27)21-11-15-31(16-12-21)26(33)29(3)4;/h7-10,19-21H,5-6,11-18H2,1-4H3,(H,28,32);1H
InChIKeyAWMHZJMNPHYNAF-UHFFFAOYSA-N
XLogP4.11
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 25012166
tert-butyl 4-[3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 68681436
tert-butyl 3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-carboxylate
CID 59600632
dichloromethane;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;methyl-[4-[3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-yl]piperidin-1-yl]borinic acid;N-pentan-3-yl-1'-piperidin-4-ylspiro[indene-3,4'-piperidine]-1-carboxamide;N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;prop-2-ynyl carbonochloridate
CID 160723746
1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 59600603
N,N-dimethyl-4-[4-methyl-4-(methylamino)piperidin-1-yl]piperidine-1-carboxamide
CID 83261821
methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 160602554
(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one
CID 143604165
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

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen?
The IUPAC name of 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen (CID 157252350) is 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen is CCC(CC)NC(=O)C1=CC2(CCN(C3CCN(C(=O)N(C)C)CC3)CC2)c2ccccc21.[H][H].
What is the InChIKey of 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen?
The InChIKey is AWMHZJMNPHYNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O2.H2/c1-5-20(6-2)28-25(32)23-19-27(24-10-8-7-9-22(23)24)13-17-30(18-14-27)21-11-15-31(16-12-21)26(33)29(3)4;/h7-10,19-21H,5-6,11-18H2,1-4H3,(H,28,32);1H.
What are the key properties of 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen?
1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen has a molecular weight of 454.66 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157252350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).