N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide

C21H32N2O3 — CID 138033864

IUPACN-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide
SMILESCc1cc(CCNC(=O)N2CCC(C3CCCCO3)CC2)cc(C)c1O
InChIInChI=1S/C21H32N2O3/c1-15-13-17(14-16(2)20(15)24)6-9-22-21(25)23-10-7-18(8-11-23)19-5-3-4-12-26-19/h13-14,18-19,24H,3-12H2,1-2H3,(H,22,25)
InChIKeyHCIJNNOTSHULJP-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide

N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide (PubChem CID 138033864) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide
PubChem CID138033864
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide
SMILESCc1cc(CCNC(=O)N2CCC(C3CCCCO3)CC2)cc(C)c1O
InChIInChI=1S/C21H32N2O3/c1-15-13-17(14-16(2)20(15)24)6-9-22-21(25)23-10-7-18(8-11-23)19-5-3-4-12-26-19/h13-14,18-19,24H,3-12H2,1-2H3,(H,22,25)
InChIKeyHCIJNNOTSHULJP-UHFFFAOYSA-N
XLogP3.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99824108
4-[(2S)-oxolan-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 124619443
N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99789227
N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 100651761
(4aR,8aS)-N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 124622578
N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
CID 127996993
N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide
CID 136553393
4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 126770005
N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622149
N-[(2-methoxynaphthalen-1-yl)methyl]-4-(oxan-2-yl)piperidine-1-carboxamide
CID 136552454
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
CID 146129531
N-[(2R)-2-methoxy-2-phenylethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619395

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide (CID 138033864) is N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide is Cc1cc(CCNC(=O)N2CCC(C3CCCCO3)CC2)cc(C)c1O.
What is the InChIKey of N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
The InChIKey is HCIJNNOTSHULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-15-13-17(14-16(2)20(15)24)6-9-22-21(25)23-10-7-18(8-11-23)19-5-3-4-12-26-19/h13-14,18-19,24H,3-12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138033864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).