(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide

C15H23N3O — CID 770488

IUPAC(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-12(16)15(19)17-14-7-9-18(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyHAYXTSLJZRCOQD-LBPRGKRZSA-N
MW261.37 g/mol
LogP1.11
Rot. Bonds4

About (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide (PubChem CID 770488) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
PubChem CID770488
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-12(16)15(19)17-14-7-9-18(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyHAYXTSLJZRCOQD-LBPRGKRZSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
CID 56818396
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide (CID 770488) is (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide is C[C@H](N)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide?
The InChIKey is HAYXTSLJZRCOQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(16)15(19)17-14-7-9-18(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide?
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide is sourced from PubChem (CID 770488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).