N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C19H30N2O2 — CID 111508473

IUPACN-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-13-9-14(2)11-17(10-13)12-15(3)20-19(23)21-7-5-18(6-8-21)16(4)22/h9-11,15-16,18,22H,5-8,12H2,1-4H3,(H,20,23)
InChIKeyNFJDZLRQOQYZBL-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111508473) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111508473
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-13-9-14(2)11-17(10-13)12-15(3)20-19(23)21-7-5-18(6-8-21)16(4)22/h9-11,15-16,18,22H,5-8,12H2,1-4H3,(H,20,23)
InChIKeyNFJDZLRQOQYZBL-UHFFFAOYSA-N
XLogP3.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95975963
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 122137895
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438818
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 106836851
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111117369
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438676

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111508473) is N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is Cc1cc(C)cc(CC(C)NC(=O)N2CCC(C(C)O)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is NFJDZLRQOQYZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-9-14(2)11-17(10-13)12-15(3)20-19(23)21-7-5-18(6-8-21)16(4)22/h9-11,15-16,18,22H,5-8,12H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111508473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).