4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide

C19H23N3O3 — CID 46241195

IUPAC4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1ncccc1CNC(=O)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C19H23N3O3/c1-13-15(3-2-8-20-13)12-21-19(25)22-9-6-14(7-10-22)17-5-4-16(23)11-18(17)24/h2-5,8,11,14,23-24H,6-7,9-10,12H2,1H3,(H,21,25)
InChIKeyNFUCMWYOLAZQDM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.89
Rot. Bonds3

About 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide

4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 46241195) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID46241195
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1ncccc1CNC(=O)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C19H23N3O3/c1-13-15(3-2-8-20-13)12-21-19(25)22-9-6-14(7-10-22)17-5-4-16(23)11-18(17)24/h2-5,8,11,14,23-24H,6-7,9-10,12H2,1H3,(H,21,25)
InChIKeyNFUCMWYOLAZQDM-UHFFFAOYSA-N
XLogP2.89
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylthiophen-3-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 136537575
N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide
CID 46215196
(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
CID 154795406
3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
CID 111443887
4-N-ethyl-1-N-(quinolin-8-ylmethyl)piperidine-1,4-dicarboxamide
CID 166186194
N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 166207328
(4aS,8aR)-N-[(2,4-dihydroxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 122561212
4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
N-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433207
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122571703
3-[(2-methyl-3-pyridinyl)methylamino]phenol
CID 99790074
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide (CID 46241195) is 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide is Cc1ncccc1CNC(=O)N1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is NFUCMWYOLAZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-15(3-2-8-20-13)12-21-19(25)22-9-6-14(7-10-22)17-5-4-16(23)11-18(17)24/h2-5,8,11,14,23-24H,6-7,9-10,12H2,1H3,(H,21,25).
What are the key properties of 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide?
4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46241195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).