4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide

C17H27N3O — CID 80541388

IUPAC4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
SMILESCC(CCN)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(7-10-18)17(21)19-16-8-11-20(12-9-16)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)
InChIKeyUECQVJZHCONXCO-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.75
Rot. Bonds6

About 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide

4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide (PubChem CID 80541388) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
PubChem CID80541388
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
SMILESCC(CCN)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(7-10-18)17(21)19-16-8-11-20(12-9-16)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)
InChIKeyUECQVJZHCONXCO-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
CID 56818396
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 119034158
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide (CID 80541388) is 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide is CC(CCN)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide?
The InChIKey is UECQVJZHCONXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(7-10-18)17(21)19-16-8-11-20(12-9-16)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide?
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide is sourced from PubChem (CID 80541388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).