N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C19H30N2O2 — CID 110901455

IUPACN-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(CO)C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(16-7-9-17(10-8-16)19(2,3)4)20-18(23)21-11-5-6-15(12-21)13-22/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,20,23)
InChIKeyUASFLWQCLUOTTM-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110901455) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110901455
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(CO)C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(16-7-9-17(10-8-16)19(2,3)4)20-18(23)21-11-5-6-15(12-21)13-22/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,20,23)
InChIKeyUASFLWQCLUOTTM-UHFFFAOYSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 171152885
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(3S)-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxamide
CID 99832587
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 110882612
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969134
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 110901455) is N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is CC(NC(=O)N1CCCC(CO)C1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UASFLWQCLUOTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(16-7-9-17(10-8-16)19(2,3)4)20-18(23)21-11-5-6-15(12-21)13-22/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110901455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).