N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide

C21H27N3O2 — CID 124606981

IUPACN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
SMILESC[C@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)on2)CCN1Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-15-12-18(10-11-24(15)14-16-6-4-3-5-7-16)23(2)21(25)19-13-20(26-22-19)17-8-9-17/h3-7,13,15,17-18H,8-12,14H2,1-2H3/t15-,18+/m0/s1
InChIKeyDDGLSCJMFOJKDB-MAUKXSAKSA-N
MW353.47 g/mol
LogP3.68
Rot. Bonds5

About N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide

N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 124606981) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID124606981
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
SMILESC[C@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)on2)CCN1Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-15-12-18(10-11-24(15)14-16-6-4-3-5-7-16)23(2)21(25)19-13-20(26-22-19)17-8-9-17/h3-7,13,15,17-18H,8-12,14H2,1-2H3/t15-,18+/m0/s1
InChIKeyDDGLSCJMFOJKDB-MAUKXSAKSA-N
XLogP3.68
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95632992
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 100851810
1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 56794123
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
CID 120646621
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 97317575
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
CID 95632987
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide (CID 124606981) is N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide is C[C@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)on2)CCN1Cc1ccccc1.
What is the InChIKey of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DDGLSCJMFOJKDB-MAUKXSAKSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-12-18(10-11-24(15)14-16-6-4-3-5-7-16)23(2)21(25)19-13-20(26-22-19)17-8-9-17/h3-7,13,15,17-18H,8-12,14H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124606981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).