1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide

C27H35N3O3 — CID 56509678

IUPAC1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)CCc3cccc(OC4CCCC4)c3)cc2)C1
InChIInChI=1S/C27H35N3O3/c28-27(32)22-6-4-16-30(19-22)18-21-10-13-23(14-11-21)29-26(31)15-12-20-5-3-9-25(17-20)33-24-7-1-2-8-24/h3,5,9-11,13-14,17,22,24H,1-2,4,6-8,12,15-16,18-19H2,(H2,28,32)(H,29,31)
InChIKeyFUPNNBXZQNGOEP-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.28
Rot. Bonds9

About 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56509678) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56509678
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)CCc3cccc(OC4CCCC4)c3)cc2)C1
InChIInChI=1S/C27H35N3O3/c28-27(32)22-6-4-16-30(19-22)18-21-10-13-23(14-11-21)29-26(31)15-12-20-5-3-9-25(17-20)33-24-7-1-2-8-24/h3,5,9-11,13-14,17,22,24H,1-2,4,6-8,12,15-16,18-19H2,(H2,28,32)(H,29,31)
InChIKeyFUPNNBXZQNGOEP-UHFFFAOYSA-N
XLogP4.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[3-(2-aminophenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 120612866
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
N-(6-amino-3-pyridinyl)-3-(3-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119516351
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506880
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119381224

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide (CID 56509678) is 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(NC(=O)CCc3cccc(OC4CCCC4)c3)cc2)C1.
What is the InChIKey of 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is FUPNNBXZQNGOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c28-27(32)22-6-4-16-30(19-22)18-21-10-13-23(14-11-21)29-26(31)15-12-20-5-3-9-25(17-20)33-24-7-1-2-8-24/h3,5,9-11,13-14,17,22,24H,1-2,4,6-8,12,15-16,18-19H2,(H2,28,32)(H,29,31).
What are the key properties of 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56509678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).