N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

C19H25ClN4OS — CID 55793482

IUPACN-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(Cc2csc(C)n2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4OS/c1-3-18(15-4-6-16(20)7-5-15)22-19(25)24-10-8-23(9-11-24)12-17-13-26-14(2)21-17/h4-7,13,18H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyOQFYKMLKJHTIPL-UHFFFAOYSA-N
MW392.96 g/mol
LogP4.08
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 55793482) has the molecular formula C19H25ClN4OS and a molecular weight of 392.96 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID55793482
Molecular FormulaC19H25ClN4OS
Molecular Weight392.96 g/mol
Exact Mass392.14
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(Cc2csc(C)n2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4OS/c1-3-18(15-4-6-16(20)7-5-15)22-19(25)24-10-8-23(9-11-24)12-17-13-26-14(2)21-17/h4-7,13,18H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyOQFYKMLKJHTIPL-UHFFFAOYSA-N
XLogP4.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 110747501
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide
CID 94031393
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55794013
2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 65227101
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
2-amino-3-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 60963815
2-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 62636980
3-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54875385
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 72859084
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698122
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (CID 55793482) is N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is CCC(NC(=O)N1CCN(Cc2csc(C)n2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is OQFYKMLKJHTIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4OS/c1-3-18(15-4-6-16(20)7-5-15)22-19(25)24-10-8-23(9-11-24)12-17-13-26-14(2)21-17/h4-7,13,18H,3,8-12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 392.96 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55793482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).