1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide

C21H30N2O3 — CID 139000739

IUPAC1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1
InChIInChI=1S/C21H30N2O3/c1-15(2)14-19(24)23-12-8-16(9-13-23)22-20(25)21(10-11-21)17-6-4-5-7-18(17)26-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,25)
InChIKeyMBUWNRDQTILLCM-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 139000739) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID139000739
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1
InChIInChI=1S/C21H30N2O3/c1-15(2)14-19(24)23-12-8-16(9-13-23)22-20(25)21(10-11-21)17-6-4-5-7-18(17)26-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,25)
InChIKeyMBUWNRDQTILLCM-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220664
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
4-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]piperidine-1-carboxamide
CID 75427727
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide (CID 139000739) is 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is MBUWNRDQTILLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)14-19(24)23-12-8-16(9-13-23)22-20(25)21(10-11-21)17-6-4-5-7-18(17)26-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,25).
What are the key properties of 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide?
1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 139000739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).