N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide

C17H24ClN3O2 — CID 95299451

IUPACN-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12-11-13(18)5-6-14(12)19-17(23)21-9-7-20(8-10-21)15-3-2-4-16(15)22/h5-6,11,15-16,22H,2-4,7-10H2,1H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyZIOJBTOHYYTAAB-HOTGVXAUSA-N
MW337.85 g/mol
LogP2.71
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide

N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide (PubChem CID 95299451) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
PubChem CID95299451
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12-11-13(18)5-6-14(12)19-17(23)21-9-7-20(8-10-21)15-3-2-4-16(15)22/h5-6,11,15-16,22H,2-4,7-10H2,1H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyZIOJBTOHYYTAAB-HOTGVXAUSA-N
XLogP2.71
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
4-[(1S,2R)-2-hydroxycyclopentyl]-N-(4-methyl-3-nitrophenyl)piperazine-1-carboxamide
CID 95151678
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
CID 154861542
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
CID 136518198

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide (CID 95299451) is N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide?
The InChIKey is ZIOJBTOHYYTAAB-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12-11-13(18)5-6-14(12)19-17(23)21-9-7-20(8-10-21)15-3-2-4-16(15)22/h5-6,11,15-16,22H,2-4,7-10H2,1H3,(H,19,23)/t15-,16-/m0/s1.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide is sourced from PubChem (CID 95299451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).