N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

C25H35ClN4O2 — CID 20859822

IUPACN-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCN2CCCCCC2)CC1
InChIInChI=1S/C25H35ClN4O2/c1-19-23(28-25(32-19)21-6-8-22(26)9-7-21)18-30-15-10-20(11-16-30)24(31)27-12-17-29-13-4-2-3-5-14-29/h6-9,20H,2-5,10-18H2,1H3,(H,27,31)
InChIKeyBJTOGSRERBWCOD-UHFFFAOYSA-N
MW459.03 g/mol
LogP4.51
Rot. Bonds7

About N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 20859822) has the molecular formula C25H35ClN4O2 and a molecular weight of 459.03 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID20859822
Molecular FormulaC25H35ClN4O2
Molecular Weight459.03 g/mol
Exact Mass458.24
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCN2CCCCCC2)CC1
InChIInChI=1S/C25H35ClN4O2/c1-19-23(28-25(32-19)21-6-8-22(26)9-7-21)18-30-15-10-20(11-16-30)24(31)27-12-17-29-13-4-2-3-5-14-29/h6-9,20H,2-5,10-18H2,1H3,(H,27,31)
InChIKeyBJTOGSRERBWCOD-UHFFFAOYSA-N
XLogP4.51
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dibutylamino)ethyl]piperidine-4-carboxamide
CID 20859829
N-[3-(azepan-1-yl)propyl]-1-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 45280479
4-(azepan-1-yl)-1-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 58540560
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92505840
N-[3-(azepan-1-yl)propyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 45280478
N-[3-[butyl(methyl)amino]propyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859826
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 20859831
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide
CID 143974460
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide
CID 92662420
N-butyl-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859867

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 20859822) is N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCN2CCCCCC2)CC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BJTOGSRERBWCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O2/c1-19-23(28-25(32-19)21-6-8-22(26)9-7-21)18-30-15-10-20(11-16-30)24(31)27-12-17-29-13-4-2-3-5-14-29/h6-9,20H,2-5,10-18H2,1H3,(H,27,31).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 459.03 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20859822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).