N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C20H29N3O2 — CID 108978160

IUPACN-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-3-4-12-21(2)18(24)20(10-11-20)19(25)23-15-13-22(14-16-23)17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3
InChIKeyDWMKPAVCZIGRDC-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.37
Rot. Bonds6

About N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108978160) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108978160
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-3-4-12-21(2)18(24)20(10-11-20)19(25)23-15-13-22(14-16-23)17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3
InChIKeyDWMKPAVCZIGRDC-UHFFFAOYSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
N-butyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978982
N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108975522
2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002124
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978828
N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978238
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
N-benzyl-N-methyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975525
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978792
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974926

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108978160) is N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCCCN(C)C(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is DWMKPAVCZIGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-4-12-21(2)18(24)20(10-11-20)19(25)23-15-13-22(14-16-23)17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).