N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide

C23H31N3O3 — CID 86916289

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)N(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-25(2)22(19-6-10-21(29-3)11-7-19)16-24-23(28)26-14-12-18(13-15-26)17-4-8-20(27)9-5-17/h4-11,18,22,27H,12-16H2,1-3H3,(H,24,28)
InChIKeyRHPUVCHHKOKOKL-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide (PubChem CID 86916289) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
PubChem CID86916289
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)N(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-25(2)22(19-6-10-21(29-3)11-7-19)16-24-23(28)26-14-12-18(13-15-26)17-4-8-20(27)9-5-17/h4-11,18,22,27H,12-16H2,1-3H3,(H,24,28)
InChIKeyRHPUVCHHKOKOKL-UHFFFAOYSA-N
XLogP3.59
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-hydroxyphenyl)ethyl]-5-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 155163746
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 112503691
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 78834618
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
1-(4-bromobenzoyl)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 27772471
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443868
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
2-(2,4-dimethoxyphenyl)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 47018500

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide (CID 86916289) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide is COc1ccc(C(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide?
The InChIKey is RHPUVCHHKOKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-25(2)22(19-6-10-21(29-3)11-7-19)16-24-23(28)26-14-12-18(13-15-26)17-4-8-20(27)9-5-17/h4-11,18,22,27H,12-16H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 86916289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).