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

C19H29N3O3 — CID 119309434

IUPAC1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCC(N)C(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-4-17(20)19(24)22-11-9-15(10-12-22)18(23)21-13-14-5-7-16(25-2)8-6-14/h5-8,15,17H,3-4,9-13,20H2,1-2H3,(H,21,23)
InChIKeyJZPQGQIDNVHJFN-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.68
Rot. Bonds7

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

1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 119309434) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID119309434
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCC(N)C(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-4-17(20)19(24)22-11-9-15(10-12-22)18(23)21-13-14-5-7-16(25-2)8-6-14/h5-8,15,17H,3-4,9-13,20H2,1-2H3,(H,21,23)
InChIKeyJZPQGQIDNVHJFN-UHFFFAOYSA-N
XLogP1.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
1-(2-aminopentanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119287980
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 52994035
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
1-(2-amino-4-methylsulfanylbutanoyl)-N-benzylpiperidine-4-carboxamide
CID 119273087
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-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759325
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
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 92506301

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 119309434) is 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is CCCC(N)C(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JZPQGQIDNVHJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-4-17(20)19(24)22-11-9-15(10-12-22)18(23)21-13-14-5-7-16(25-2)8-6-14/h5-8,15,17H,3-4,9-13,20H2,1-2H3,(H,21,23).
What are the key properties of 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119309434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).