N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride

C18H28ClN3O2 — CID 119310793

IUPACN-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-7-17(22)20-15-10-6-11-21(13-15)18(23)16(19)12-14-8-4-3-5-9-14;/h3-5,8-9,15-16H,2,6-7,10-13,19H2,1H3,(H,20,22);1H/t15?,16-;/m0./s1
InChIKeyGJIPNNKITIDVMU-UFUZRDLVSA-N
MW353.89 g/mol
LogP1.89
Rot. Bonds6

About N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride

N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride (PubChem CID 119310793) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
PubChem CID119310793
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-7-17(22)20-15-10-6-11-21(13-15)18(23)16(19)12-14-8-4-3-5-9-14;/h3-5,8-9,15-16H,2,6-7,10-13,19H2,1H3,(H,20,22);1H/t15?,16-;/m0./s1
InChIKeyGJIPNNKITIDVMU-UFUZRDLVSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119329196
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
CID 66566796
(2S)-2-amino-1-(3-ethylsulfanylazepan-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323592
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761704
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride?
The IUPAC name of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride (CID 119310793) is N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride is CCCC(=O)NC1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride?
The InChIKey is GJIPNNKITIDVMU-UFUZRDLVSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-2-7-17(22)20-15-10-6-11-21(13-15)18(23)16(19)12-14-8-4-3-5-9-14;/h3-5,8-9,15-16H,2,6-7,10-13,19H2,1H3,(H,20,22);1H/t15?,16-;/m0./s1.
What are the key properties of N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride?
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119310793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).