1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide

C21H29N3O2 — CID 34581496

IUPAC1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-7-3-5-9-18(15)23(2)20(25)16-11-13-24(14-12-16)21-22-17-8-4-6-10-19(17)26-21/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3/t15-,18-/m0/s1
InChIKeyOTPQGLXFOAOXAH-YJBOKZPZSA-N
MW355.48 g/mol
LogP4.08
Rot. Bonds3

About 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (PubChem CID 34581496) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
PubChem CID34581496
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-7-3-5-9-18(15)23(2)20(25)16-11-13-24(14-12-16)21-22-17-8-4-6-10-19(17)26-21/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3/t15-,18-/m0/s1
InChIKeyOTPQGLXFOAOXAH-YJBOKZPZSA-N
XLogP4.08
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (CID 34581496) is 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is C[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is OTPQGLXFOAOXAH-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-7-3-5-9-18(15)23(2)20(25)16-11-13-24(14-12-16)21-22-17-8-4-6-10-19(17)26-21/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 34581496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).