1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide

C22H32N2O4 — CID 55913400

IUPAC1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C22H32N2O4/c1-3-7-21(25)24-13-6-8-16(15-24)22(26)23-17-11-12-19(27-2)20(14-17)28-18-9-4-5-10-18/h11-12,14,16,18H,3-10,13,15H2,1-2H3,(H,23,26)
InChIKeyYMNGYNFIXWCMHR-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.99
Rot. Bonds7

About 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide

1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 55913400) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID55913400
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C22H32N2O4/c1-3-7-21(25)24-13-6-8-16(15-24)22(26)23-17-11-12-19(27-2)20(14-17)28-18-9-4-5-10-18/h11-12,14,16,18H,3-10,13,15H2,1-2H3,(H,23,26)
InChIKeyYMNGYNFIXWCMHR-UHFFFAOYSA-N
XLogP3.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55584917
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46424838
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066391
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 110194127
1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46402015
1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 55910927

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide (CID 55913400) is 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1.
What is the InChIKey of 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is YMNGYNFIXWCMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-3-7-21(25)24-13-6-8-16(15-24)22(26)23-17-11-12-19(27-2)20(14-17)28-18-9-4-5-10-18/h11-12,14,16,18H,3-10,13,15H2,1-2H3,(H,23,26).
What are the key properties of 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide?
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 55913400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).