2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide

C21H28ClN3O2 — CID 47020973

IUPAC2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1
InChIInChI=1S/C21H28ClN3O2/c1-15(19(26)23-18-6-7-18)24-10-12-25(13-11-24)20(27)21(8-3-9-21)16-4-2-5-17(22)14-16/h2,4-5,14-15,18H,3,6-13H2,1H3,(H,23,26)
InChIKeyTUVOIGSYVATPBF-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 47020973) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID47020973
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1
InChIInChI=1S/C21H28ClN3O2/c1-15(19(26)23-18-6-7-18)24-10-12-25(13-11-24)20(27)21(8-3-9-21)16-4-2-5-17(22)14-16/h2,4-5,14-15,18H,3,6-13H2,1H3,(H,23,26)
InChIKeyTUVOIGSYVATPBF-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 51329077
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39279831
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134047573
2-[4-[4-(3-chlorophenyl)oxane-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890820
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
tert-butyl 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylate
CID 52731131
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 47020973) is 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is TUVOIGSYVATPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-15(19(26)23-18-6-7-18)24-10-12-25(13-11-24)20(27)21(8-3-9-21)16-4-2-5-17(22)14-16/h2,4-5,14-15,18H,3,6-13H2,1H3,(H,23,26).
What are the key properties of 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 389.93 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 47020973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).