N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide

C15H22ClN3O — CID 3398224

IUPACN-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-3-8-17-15(20)19-11-9-18(10-12-19)14-7-5-4-6-13(14)16/h4-7H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyBYPBBLMASRREHB-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.97
Rot. Bonds4

About N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide

N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide (PubChem CID 3398224) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
PubChem CID3398224
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-3-8-17-15(20)19-11-9-18(10-12-19)14-7-5-4-6-13(14)16/h4-7H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyBYPBBLMASRREHB-UHFFFAOYSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
CID 113103888
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 26569605
N-butylaziridine-1-carboxamide
CID 55206947
4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide
CID 97016345
N-butyl-4-[4-chloro-2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103935
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
N-butyl-4-(4-chloro-2-nitrophenyl)piperazine-1-carboxamide
CID 41354036
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide (CID 3398224) is N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is BYPBBLMASRREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-3-8-17-15(20)19-11-9-18(10-12-19)14-7-5-4-6-13(14)16/h4-7H,2-3,8-12H2,1H3,(H,17,20).
What are the key properties of N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide?
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3398224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).