N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C20H27N5O2 — CID 119312989

IUPACN-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N5O2/c1-24-14-17(13-23-24)19(26)22-12-16-7-9-25(10-8-16)20(27)18(21)11-15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12,21H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyLRNPGOLPYRVXOD-SFHVURJKSA-N
MW369.47 g/mol
LogP0.96
Rot. Bonds6

About N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 119312989) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID119312989
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N5O2/c1-24-14-17(13-23-24)19(26)22-12-16-7-9-25(10-8-16)20(27)18(21)11-15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12,21H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyLRNPGOLPYRVXOD-SFHVURJKSA-N
XLogP0.96
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119312996
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991
1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 119046468
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119765291
1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 119312989) is N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cn1.
What is the InChIKey of N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is LRNPGOLPYRVXOD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-14-17(13-23-24)19(26)22-12-16-7-9-25(10-8-16)20(27)18(21)11-15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12,21H2,1H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119312989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).