N'-(1-benzylpiperidin-4-yl)butanediamide

C16H23N3O2 — CID 151114474

IUPACN'-(1-benzylpiperidin-4-yl)butanediamide
SMILESNC(=O)CCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c17-15(20)6-7-16(21)18-14-8-10-19(11-9-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,17,20)(H,18,21)
InChIKeyMQVZYLLEVCMZAE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.03
Rot. Bonds6

About N'-(1-benzylpiperidin-4-yl)butanediamide

N'-(1-benzylpiperidin-4-yl)butanediamide (PubChem CID 151114474) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-(1-benzylpiperidin-4-yl)butanediamide.

Molecular Properties

Compound NameN'-(1-benzylpiperidin-4-yl)butanediamide
PubChem CID151114474
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN'-(1-benzylpiperidin-4-yl)butanediamide
SMILESNC(=O)CCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c17-15(20)6-7-16(21)18-14-8-10-19(11-9-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,17,20)(H,18,21)
InChIKeyMQVZYLLEVCMZAE-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzylpiperidin-4-yl)butanediamide?
The IUPAC name of N'-(1-benzylpiperidin-4-yl)butanediamide (CID 151114474) is N'-(1-benzylpiperidin-4-yl)butanediamide.
What is the SMILES notation for N'-(1-benzylpiperidin-4-yl)butanediamide?
The canonical SMILES for N'-(1-benzylpiperidin-4-yl)butanediamide is NC(=O)CCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N'-(1-benzylpiperidin-4-yl)butanediamide?
The InChIKey is MQVZYLLEVCMZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15(20)6-7-16(21)18-14-8-10-19(11-9-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,17,20)(H,18,21).
What are the key properties of N'-(1-benzylpiperidin-4-yl)butanediamide?
N'-(1-benzylpiperidin-4-yl)butanediamide has a molecular weight of 289.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzylpiperidin-4-yl)butanediamide is sourced from PubChem (CID 151114474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).