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

C18H20ClN3O3 — CID 48731280

IUPAC1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)on1
InChIInChI=1S/C18H20ClN3O3/c1-12-9-16(25-21-12)10-20-17(23)14-3-2-8-22(11-14)18(24)13-4-6-15(19)7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,20,23)
InChIKeyYAUOSTYNZDBTHH-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.81
Rot. Bonds4

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

1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 48731280) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID48731280
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)on1
InChIInChI=1S/C18H20ClN3O3/c1-12-9-16(25-21-12)10-20-17(23)14-3-2-8-22(11-14)18(24)13-4-6-15(19)7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,20,23)
InChIKeyYAUOSTYNZDBTHH-UHFFFAOYSA-N
XLogP2.81
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 4876339
(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
CID 95768953
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 48731280) is 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)on1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YAUOSTYNZDBTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-9-16(25-21-12)10-20-17(23)14-3-2-8-22(11-14)18(24)13-4-6-15(19)7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,20,23).
What are the key properties of 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 48731280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).