1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C17H25N3O3 — CID 119309414

IUPAC1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)N)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-12(18)17(22)20-9-7-14(8-10-20)16(21)19-11-13-3-5-15(23-2)6-4-13/h3-6,12,14H,7-11,18H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyIVXFIXUIYNDOFC-LBPRGKRZSA-N
MW319.40 g/mol
LogP0.90
Rot. Bonds5

About 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 119309414) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID119309414
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)N)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-12(18)17(22)20-9-7-14(8-10-20)16(21)19-11-13-3-5-15(23-2)6-4-13/h3-6,12,14H,7-11,18H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyIVXFIXUIYNDOFC-LBPRGKRZSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309434
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 52994035
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119945115
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 119309414) is 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)N)CC2)cc1.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is IVXFIXUIYNDOFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(18)17(22)20-9-7-14(8-10-20)16(21)19-11-13-3-5-15(23-2)6-4-13/h3-6,12,14H,7-11,18H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119309414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).