N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide

C17H26N2O2 — CID 114423143

IUPACN-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-12-9-10-18-16(11-12)17(21)19-13(2)3-4-14-5-7-15(20)8-6-14/h5-8,12-13,16,18,20H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyNJERQQPVQNEMPU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide

N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide (PubChem CID 114423143) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide
PubChem CID114423143
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-12-9-10-18-16(11-12)17(21)19-13(2)3-4-14-5-7-15(20)8-6-14/h5-8,12-13,16,18,20H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyNJERQQPVQNEMPU-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
CID 114424286
N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114424416
N-[1-(furan-2-yl)propan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114423030
4-methyl-N-pent-4-en-2-ylpiperidine-2-carboxamide
CID 114424522
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
CID 43317708
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 104921807
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 63044483
N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 107863083

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide (CID 114423143) is N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NC(C)CCc2ccc(O)cc2)C1.
What is the InChIKey of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide?
The InChIKey is NJERQQPVQNEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-9-10-18-16(11-12)17(21)19-13(2)3-4-14-5-7-15(20)8-6-14/h5-8,12-13,16,18,20H,3-4,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide?
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).