N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide

C17H27N3O2 — CID 139013773

IUPACN-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C[C@H](O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c1-13(21)19-15-8-5-9-20(11-15)12-17(22)16(18)10-14-6-3-2-4-7-14/h2-4,6-7,15-17,22H,5,8-12,18H2,1H3,(H,19,21)/t15?,16-,17-/m0/s1
InChIKeyKFTSNSLCTIHCCR-BSOSBYQFSA-N
MW305.42 g/mol
LogP0.52
Rot. Bonds6

About N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide

N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide (PubChem CID 139013773) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide
PubChem CID139013773
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C[C@H](O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c1-13(21)19-15-8-5-9-20(11-15)12-17(22)16(18)10-14-6-3-2-4-7-14/h2-4,6-7,15-17,22H,5,8-12,18H2,1H3,(H,19,21)/t15?,16-,17-/m0/s1
InChIKeyKFTSNSLCTIHCCR-BSOSBYQFSA-N
XLogP0.52
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 15947125
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
CID 15947124
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
CID 143402490
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;methane;sulfane;dihydrochloride
CID 158132619
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide
CID 69359753
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide (CID 139013773) is N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C[C@H](O)[C@@H](N)Cc2ccccc2)C1.
What is the InChIKey of N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide?
The InChIKey is KFTSNSLCTIHCCR-BSOSBYQFSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(21)19-15-8-5-9-20(11-15)12-17(22)16(18)10-14-6-3-2-4-7-14/h2-4,6-7,15-17,22H,5,8-12,18H2,1H3,(H,19,21)/t15?,16-,17-/m0/s1.
What are the key properties of N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide?
N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 139013773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).