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

C18H21N3O3 — CID 124739989

IUPAC(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)o1
InChIInChI=1S/C18H21N3O3/c1-13-10-19-16(24-13)11-20-17(22)15-8-5-9-21(12-15)18(23)14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyUEZQTNXBROBMOO-HNNXBMFYSA-N
MW327.38 g/mol
LogP2.15
Rot. Bonds4

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

(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 124739989) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID124739989
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)o1
InChIInChI=1S/C18H21N3O3/c1-13-10-19-16(24-13)11-20-17(22)15-8-5-9-21(12-15)18(23)14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyUEZQTNXBROBMOO-HNNXBMFYSA-N
XLogP2.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 42783454
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
(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
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
1-benzoyl-N-[(1-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 111333032
1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4285066

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide (CID 124739989) is (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide is Cc1cnc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)o1.
What is the InChIKey of (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is UEZQTNXBROBMOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-10-19-16(24-13)11-20-17(22)15-8-5-9-21(12-15)18(23)14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124739989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).