3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

C23H35N3O2 — CID 45224965

IUPAC3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
SMILESO=C(CCN1CCCCCC1=O)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c27-22(14-18-26-17-6-2-5-13-23(26)28)24-21-12-8-16-25(19-21)15-7-11-20-9-3-1-4-10-20/h1,3-4,9-10,21H,2,5-8,11-19H2,(H,24,27)
InChIKeyDSDUPVPSJOANMD-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.99
Rot. Bonds8

About 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide (PubChem CID 45224965) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
PubChem CID45224965
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
SMILESO=C(CCN1CCCCCC1=O)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c27-22(14-18-26-17-6-2-5-13-23(26)28)24-21-12-8-16-25(19-21)15-7-11-20-9-3-1-4-10-20/h1,3-4,9-10,21H,2,5-8,11-19H2,(H,24,27)
InChIKeyDSDUPVPSJOANMD-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 26318438
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42457135
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45184954
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42453249
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide (CID 45224965) is 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide is O=C(CCN1CCCCCC1=O)NC1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The InChIKey is DSDUPVPSJOANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c27-22(14-18-26-17-6-2-5-13-23(26)28)24-21-12-8-16-25(19-21)15-7-11-20-9-3-1-4-10-20/h1,3-4,9-10,21H,2,5-8,11-19H2,(H,24,27).
What are the key properties of 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide has a molecular weight of 385.55 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45224965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).