N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide

C18H27N3O2 — CID 86778410

IUPACN-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cc(CN2CCC(N(C)C(=O)C3C4CCCC43)CC2)on1
InChIInChI=1S/C18H27N3O2/c1-12-10-14(23-19-12)11-21-8-6-13(7-9-21)20(2)18(22)17-15-4-3-5-16(15)17/h10,13,15-17H,3-9,11H2,1-2H3
InChIKeyAWJSBQZPMYBYKU-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide

N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86778410) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86778410
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cc(CN2CCC(N(C)C(=O)C3C4CCCC43)CC2)on1
InChIInChI=1S/C18H27N3O2/c1-12-10-14(23-19-12)11-21-8-6-13(7-9-21)20(2)18(22)17-15-4-3-5-16(15)17/h10,13,15-17H,3-9,11H2,1-2H3
InChIKeyAWJSBQZPMYBYKU-UHFFFAOYSA-N
XLogP2.45
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(3-isopropylisoxazol-5-yl)methyl]acetamide
CID 16189217
5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110496
N-cyclohexyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110498
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
N-cyclohexyl-N-cyclopentyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25110492
N-cyclohexyl-N-(cyclohexylmethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25110494
N-cyclopentyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110510
(3-Cyclopentyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
CID 84585218
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[(3-ethyl-5-isoxazolyl)methyl]acetamide
CID 16191985
N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 51077165
1-(2-Cyclohexylethyl)-3-hydroxy-3-({methyl[(5-methylisoxazol-3-yl)methyl]amino}methyl)piperidin-2-one
CID 56743472
1-[4-[(3-Methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56810437

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide (CID 86778410) is N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide is Cc1cc(CN2CCC(N(C)C(=O)C3C4CCCC43)CC2)on1.
What is the InChIKey of N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is AWJSBQZPMYBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-10-14(23-19-12)11-21-8-6-13(7-9-21)20(2)18(22)17-15-4-3-5-16(15)17/h10,13,15-17H,3-9,11H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide?
N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86778410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).