3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid

C19H23N3O2 — CID 71766726

IUPAC3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c23-19(24)17-8-9-20-12-18(17)21-11-16-7-4-10-22(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16,21H,4,7,10-11,13-14H2,(H,23,24)
InChIKeyCPSDCBCOTHADNH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.10
Rot. Bonds6

About 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid

3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 71766726) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID71766726
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c23-19(24)17-8-9-20-12-18(17)21-11-16-7-4-10-22(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16,21H,4,7,10-11,13-14H2,(H,23,24)
InChIKeyCPSDCBCOTHADNH-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321
2-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-hydroxypropanedioic acid
CID 174346331
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid (CID 71766726) is 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is CPSDCBCOTHADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(24)17-8-9-20-12-18(17)21-11-16-7-4-10-22(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16,21H,4,7,10-11,13-14H2,(H,23,24).
What are the key properties of 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid?
3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 71766726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).