1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide

C28H41N3O2 — CID 25012166

IUPAC1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide
SMILESCCC(CC)NC(=O)C1=CC2(CCN(C3CCN(C(=O)C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C28H41N3O2/c1-5-21(6-2)29-26(32)24-19-28(25-10-8-7-9-23(24)25)13-17-30(18-14-28)22-11-15-31(16-12-22)27(33)20(3)4/h7-10,19-22H,5-6,11-18H2,1-4H3,(H,29,32)
InChIKeyLWQKLHDWMLKIDB-UHFFFAOYSA-N
MW451.66 g/mol
LogP4.37
Rot. Bonds6

About 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide

1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide (PubChem CID 25012166) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide
PubChem CID25012166
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC Name1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide
SMILESCCC(CC)NC(=O)C1=CC2(CCN(C3CCN(C(=O)C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C28H41N3O2/c1-5-21(6-2)29-26(32)24-19-28(25-10-8-7-9-23(24)25)13-17-30(18-14-28)22-11-15-31(16-12-22)27(33)20(3)4/h7-10,19-22H,5-6,11-18H2,1-4H3,(H,29,32)
InChIKeyLWQKLHDWMLKIDB-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.66
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen
CID 157252350
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
2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082500
(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one
CID 143604165
1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 59600603
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 25013135
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197287

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide (CID 25012166) is 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide is CCC(CC)NC(=O)C1=CC2(CCN(C3CCN(C(=O)C(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide?
The InChIKey is LWQKLHDWMLKIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2/c1-5-21(6-2)29-26(32)24-19-28(25-10-8-7-9-23(24)25)13-17-30(18-14-28)22-11-15-31(16-12-22)27(33)20(3)4/h7-10,19-22H,5-6,11-18H2,1-4H3,(H,29,32).
What are the key properties of 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide?
1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide has a molecular weight of 451.66 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 25012166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).