1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

C23H37N3O2 — CID 45209776

IUPAC1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCC(O)CCN1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(27)8-14-25-15-11-22(12-16-25)26-17-9-21(10-18-26)23(28)24-13-7-20-5-3-2-4-6-20/h2-6,19,21-22,27H,7-18H2,1H3,(H,24,28)
InChIKeyIWTVFLQTHLHBNQ-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.29
Rot. Bonds8

About 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 45209776) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID45209776
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCC(O)CCN1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(27)8-14-25-15-11-22(12-16-25)26-17-9-21(10-18-26)23(28)24-13-7-20-5-3-2-4-6-20/h2-6,19,21-22,27H,7-18H2,1H3,(H,24,28)
InChIKeyIWTVFLQTHLHBNQ-UHFFFAOYSA-N
XLogP2.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 29028022
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 45220804
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95554118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 45209776) is 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is CC(O)CCN1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is IWTVFLQTHLHBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-19(27)8-14-25-15-11-22(12-16-25)26-17-9-21(10-18-26)23(28)24-13-7-20-5-3-2-4-6-20/h2-6,19,21-22,27H,7-18H2,1H3,(H,24,28).
What are the key properties of 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45209776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).