N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C20H29N3O3 — CID 109131658

IUPACN-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H29N3O3/c1-4-14(2)21-19(24)15-13-16(15)20(25)23-11-9-22(10-12-23)17-7-5-6-8-18(17)26-3/h5-8,14-16H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyVMRMLSCAQJBLPL-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.89
Rot. Bonds6

About N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 109131658) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID109131658
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H29N3O3/c1-4-14(2)21-19(24)15-13-16(15)20(25)23-11-9-22(10-12-23)17-7-5-6-8-18(17)26-3/h5-8,14-16H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyVMRMLSCAQJBLPL-UHFFFAOYSA-N
XLogP1.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 109130680
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 109139044
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
ethyl 4-[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109131655
4-(2-methoxyphenyl)-N-(1-methylsulfinylpropan-2-yl)piperazine-1-carboxamide
CID 146132273
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144318
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 109131658) is N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is CCC(C)NC(=O)C1CC1C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is VMRMLSCAQJBLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-14(2)21-19(24)15-13-16(15)20(25)23-11-9-22(10-12-23)17-7-5-6-8-18(17)26-3/h5-8,14-16H,4,9-13H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).