N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

C17H27N3O2 — CID 45196321

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H27N3O2/c1-13-16(18-12-22-13)17(21)19-15-8-5-9-20(11-15)10-14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,21)
InChIKeyLVSDYFXJCJTFEY-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.76
Rot. Bonds4

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 45196321) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID45196321
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H27N3O2/c1-13-16(18-12-22-13)17(21)19-15-8-5-9-20(11-15)10-14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,21)
InChIKeyLVSDYFXJCJTFEY-UHFFFAOYSA-N
XLogP2.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 56702015
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45186564
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508901
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
4-amino-N-(1-ethylpiperidin-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688370
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-morpholin-4-ylpropanamide
CID 45205353

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 45196321) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is LVSDYFXJCJTFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-16(18-12-22-13)17(21)19-15-8-5-9-20(11-15)10-14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,21).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45196321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).