N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide

C24H30ClN3O2 — CID 30634978

IUPACN-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)ccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-18-15-21(8-9-23(18)25)26-24(29)20-6-4-19(5-7-20)16-27-10-12-28(13-11-27)17-22-3-2-14-30-22/h4-9,15,22H,2-3,10-14,16-17H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyQRUKBPWZZZYIFV-JOCHJYFZSA-N
MW427.98 g/mol
LogP4.20
Rot. Bonds6

About N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide

N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide (PubChem CID 30634978) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide
PubChem CID30634978
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)ccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-18-15-21(8-9-23(18)25)26-24(29)20-6-4-19(5-7-20)16-27-10-12-28(13-11-27)17-22-3-2-14-30-22/h4-9,15,22H,2-3,10-14,16-17H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyQRUKBPWZZZYIFV-JOCHJYFZSA-N
XLogP4.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
4-[[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methyl]-N-(3,4-dimethylphenyl)benzamide
CID 44530055
4-[[(3R)-3-[[4-[(4-chloro-3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 143249689
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124504771
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide (CID 30634978) is N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide is Cc1cc(NC(=O)c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is QRUKBPWZZZYIFV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-18-15-21(8-9-23(18)25)26-24(29)20-6-4-19(5-7-20)16-27-10-12-28(13-11-27)17-22-3-2-14-30-22/h4-9,15,22H,2-3,10-14,16-17H2,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide?
N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 427.98 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 30634978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).