1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide

C20H28N2O3 — CID 119125744

IUPAC1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
SMILESCOc1cc(C2(C(=O)N3CCC(C(N)=O)CC3)CCCC2)ccc1C
InChIInChI=1S/C20H28N2O3/c1-14-5-6-16(13-17(14)25-2)20(9-3-4-10-20)19(24)22-11-7-15(8-12-22)18(21)23/h5-6,13,15H,3-4,7-12H2,1-2H3,(H2,21,23)
InChIKeyTXNJHDGWEGCQDC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.54
Rot. Bonds4

About 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide

1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide (PubChem CID 119125744) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
PubChem CID119125744
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
SMILESCOc1cc(C2(C(=O)N3CCC(C(N)=O)CC3)CCCC2)ccc1C
InChIInChI=1S/C20H28N2O3/c1-14-5-6-16(13-17(14)25-2)20(9-3-4-10-20)19(24)22-11-7-15(8-12-22)18(21)23/h5-6,13,15H,3-4,7-12H2,1-2H3,(H2,21,23)
InChIKeyTXNJHDGWEGCQDC-UHFFFAOYSA-N
XLogP2.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 119349942
1,4-diazepan-1-yl-[1-(3-methoxy-4-methylphenyl)cyclopentyl]methanone
CID 119415679
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540306
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[1-(3,4-dimethoxyphenyl)cyclopentyl]methanone
CID 133125413
1-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256385
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 120805528
(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125154261
[1-(3,4-dimethoxyphenyl)cyclopentyl]-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 70769774
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide (CID 119125744) is 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide is COc1cc(C2(C(=O)N3CCC(C(N)=O)CC3)CCCC2)ccc1C.
What is the InChIKey of 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
The InChIKey is TXNJHDGWEGCQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-5-6-16(13-17(14)25-2)20(9-3-4-10-20)19(24)22-11-7-15(8-12-22)18(21)23/h5-6,13,15H,3-4,7-12H2,1-2H3,(H2,21,23).
What are the key properties of 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 119125744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).