N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

C20H31N3O2 — CID 127591342

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)N1CCCCC1CCO
InChIInChI=1S/C20H31N3O2/c24-15-11-19-8-4-5-12-23(19)20(25)21-18-9-13-22(14-10-18)16-17-6-2-1-3-7-17/h1-3,6-7,18-19,24H,4-5,8-16H2,(H,21,25)
InChIKeyIYTQYVXCDIDXGJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.60
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 127591342) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID127591342
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)N1CCCCC1CCO
InChIInChI=1S/C20H31N3O2/c24-15-11-19-8-4-5-12-23(19)20(25)21-18-9-13-22(14-10-18)16-17-6-2-1-3-7-17/h1-3,6-7,18-19,24H,4-5,8-16H2,(H,21,25)
InChIKeyIYTQYVXCDIDXGJ-UHFFFAOYSA-N
XLogP2.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513267
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 136578180
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
CID 134118089
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
CID 108876535
2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 43245490

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 127591342) is N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)N1CCCCC1CCO.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is IYTQYVXCDIDXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-15-11-19-8-4-5-12-23(19)20(25)21-18-9-13-22(14-10-18)16-17-6-2-1-3-7-17/h1-3,6-7,18-19,24H,4-5,8-16H2,(H,21,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 127591342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).