1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid

C19H23N3O2 — CID 71564992

IUPAC1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
SMILESO=C(O)C1(NCc2cccnc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-18(24)19(21-14-17-7-4-10-20-13-17)8-11-22(12-9-19)15-16-5-2-1-3-6-16/h1-7,10,13,21H,8-9,11-12,14-15H2,(H,23,24)
InChIKeyFQJLEGZDXBWQIL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.29
Rot. Bonds6

About 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid

1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid (PubChem CID 71564992) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
PubChem CID71564992
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
SMILESO=C(O)C1(NCc2cccnc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-18(24)19(21-14-17-7-4-10-20-13-17)8-11-22(12-9-19)15-16-5-2-1-3-6-16/h1-7,10,13,21H,8-9,11-12,14-15H2,(H,23,24)
InChIKeyFQJLEGZDXBWQIL-UHFFFAOYSA-N
XLogP2.29
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
1-(pyridin-3-ylmethylamino)cyclopent-3-ene-1,3-dicarboxylic acid
CID 71579225
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
CID 71758384
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid (CID 71564992) is 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid is O=C(O)C1(NCc2cccnc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid?
The InChIKey is FQJLEGZDXBWQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(24)19(21-14-17-7-4-10-20-13-17)8-11-22(12-9-19)15-16-5-2-1-3-6-16/h1-7,10,13,21H,8-9,11-12,14-15H2,(H,23,24).
What are the key properties of 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid?
1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 71564992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).