1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

C21H30ClN3O2 — CID 108978828

IUPAC1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C21H30ClN3O2/c1-3-10-24(11-4-2)19(26)21(8-9-21)20(27)25-14-12-23(13-15-25)18-7-5-6-17(22)16-18/h5-7,16H,3-4,8-15H2,1-2H3
InChIKeyPCHLZPAQDQQCFO-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.42
Rot. Bonds7

About 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide

1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (PubChem CID 108978828) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
PubChem CID108978828
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C21H30ClN3O2/c1-3-10-24(11-4-2)19(26)21(8-9-21)20(27)25-14-12-23(13-15-25)18-7-5-6-17(22)16-18/h5-7,16H,3-4,8-15H2,1-2H3
InChIKeyPCHLZPAQDQQCFO-UHFFFAOYSA-N
XLogP3.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.42
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

1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978811
N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978792
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 78994262
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108975522
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide (CID 108978828) is 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is CCCN(CCC)C(=O)C1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
The InChIKey is PCHLZPAQDQQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-3-10-24(11-4-2)19(26)21(8-9-21)20(27)25-14-12-23(13-15-25)18-7-5-6-17(22)16-18/h5-7,16H,3-4,8-15H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide?
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide has a molecular weight of 391.94 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide is sourced from PubChem (CID 108978828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).