N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone

C29H35N3O3 — CID 177314069

IUPACN-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone
SMILESCOc1ccc2cc(C(=O)C3CCCNC3)ccc2c1.O=C(NC1CCCCC1)c1cccnc1
InChIInChI=1S/C17H19NO2.C12H16N2O/c1-20-16-7-6-12-9-14(5-4-13(12)10-16)17(19)15-3-2-8-18-11-15;15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h4-7,9-10,15,18H,2-3,8,11H2,1H3;4-5,8-9,11H,1-3,6-7H2,(H,14,15)
InChIKeyHATDDVIHRMYMBX-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.17
Rot. Bonds5

About N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone

N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone (PubChem CID 177314069) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound NameN-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone
PubChem CID177314069
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone
SMILESCOc1ccc2cc(C(=O)C3CCCNC3)ccc2c1.O=C(NC1CCCCC1)c1cccnc1
InChIInChI=1S/C17H19NO2.C12H16N2O/c1-20-16-7-6-12-9-14(5-4-13(12)10-16)17(19)15-3-2-8-18-11-15;15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h4-7,9-10,15,18H,2-3,8,11H2,1H3;4-5,8-9,11H,1-3,6-7H2,(H,14,15)
InChIKeyHATDDVIHRMYMBX-UHFFFAOYSA-N
XLogP5.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
N-cyclopentylpyridine-3-carboxamide
CID 805532
tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
CID 175290521
N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 95853242
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone?
The IUPAC name of N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone (CID 177314069) is N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone?
The canonical SMILES for N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone is COc1ccc2cc(C(=O)C3CCCNC3)ccc2c1.O=C(NC1CCCCC1)c1cccnc1.
What is the InChIKey of N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone?
The InChIKey is HATDDVIHRMYMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C12H16N2O/c1-20-16-7-6-12-9-14(5-4-13(12)10-16)17(19)15-3-2-8-18-11-15;15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h4-7,9-10,15,18H,2-3,8,11H2,1H3;4-5,8-9,11H,1-3,6-7H2,(H,14,15).
What are the key properties of N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone?
N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone has a molecular weight of 473.62 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 177314069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).