N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide

C21H28N2O4 — CID 100780625

IUPACN-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1OC
InChIInChI=1S/C21H28N2O4/c1-26-16-7-6-15(14-17(16)27-2)22-18(24)20(8-9-20)21(10-11-21)19(25)23-12-4-3-5-13-23/h6-7,14H,3-5,8-13H2,1-2H3,(H,22,24)
InChIKeyDTZOKJKNFNPSKW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.22
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide

N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide (PubChem CID 100780625) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide
PubChem CID100780625
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1OC
InChIInChI=1S/C21H28N2O4/c1-26-16-7-6-15(14-17(16)27-2)22-18(24)20(8-9-20)21(10-11-21)19(25)23-12-4-3-5-13-23/h6-7,14H,3-5,8-13H2,1-2H3,(H,22,24)
InChIKeyDTZOKJKNFNPSKW-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide
CID 100780484
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974020
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967055
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
CID 100780604
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide (CID 100780625) is N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide?
The InChIKey is DTZOKJKNFNPSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-26-16-7-6-15(14-17(16)27-2)22-18(24)20(8-9-20)21(10-11-21)19(25)23-12-4-3-5-13-23/h6-7,14H,3-5,8-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100780625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).