N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C19H23N3O2 — CID 56782588

IUPACN-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)C2CCCCN2Cc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-18(23)16(12-14)21-19(24)17-4-2-3-11-22(17)13-15-7-9-20-10-8-15/h5-10,12,17,23H,2-4,11,13H2,1H3,(H,21,24)
InChIKeyUTFBZYRTPJHAHO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 56782588) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID56782588
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)C2CCCCN2Cc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-18(23)16(12-14)21-19(24)17-4-2-3-11-22(17)13-15-7-9-20-10-8-15/h5-10,12,17,23H,2-4,11,13H2,1H3,(H,21,24)
InChIKeyUTFBZYRTPJHAHO-UHFFFAOYSA-N
XLogP3.09
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 97314791
N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 75463110
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
1-[(4-fluorophenyl)methyl]-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 136512095
2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-4-methylphenyl]-phenylmethylidene]amino]acetic acid
CID 10907370
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844
methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
CID 167885152
N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110425580

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 56782588) is N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is Cc1ccc(O)c(NC(=O)C2CCCCN2Cc2ccncc2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is UTFBZYRTPJHAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-6-18(23)16(12-14)21-19(24)17-4-2-3-11-22(17)13-15-7-9-20-10-8-15/h5-10,12,17,23H,2-4,11,13H2,1H3,(H,21,24).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 56782588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).