N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide

C19H32FN3O2 — CID 155699977

IUPACN-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide
SMILESCN1CC(C2CCC(C(=O)NCC3CCCC(F)C3)NC2)CCC1=O
InChIInChI=1S/C19H32FN3O2/c1-23-12-15(6-8-18(23)24)14-5-7-17(21-11-14)19(25)22-10-13-3-2-4-16(20)9-13/h13-17,21H,2-12H2,1H3,(H,22,25)
InChIKeyWZMVAEIZKPGAQD-UHFFFAOYSA-N
MW353.48 g/mol
LogP1.87
Rot. Bonds4

About N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide

N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide (PubChem CID 155699977) has the molecular formula C19H32FN3O2 and a molecular weight of 353.48 g/mol. Its IUPAC name is N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide
PubChem CID155699977
Molecular FormulaC19H32FN3O2
Molecular Weight353.48 g/mol
Exact Mass353.25
IUPAC NameN-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide
SMILESCN1CC(C2CCC(C(=O)NCC3CCCC(F)C3)NC2)CCC1=O
InChIInChI=1S/C19H32FN3O2/c1-23-12-15(6-8-18(23)24)14-5-7-17(21-11-14)19(25)22-10-13-3-2-4-16(20)9-13/h13-17,21H,2-12H2,1H3,(H,22,25)
InChIKeyWZMVAEIZKPGAQD-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
(3R)-2-[(2S)-2-amino-3-methylbutanoyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]-2-azabicyclo[2.2.2]octane-3-carboxamide
CID 73350322
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
CID 3238870
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988
4-tert-butyl-N-(3-methyl-1-oxo-1-{[3-(piperidin-1-yl)propyl]amino}butan-2-yl)cyclohexanecarboxamide
CID 16188551
(2S)-2,6-diamino-1-[4-(1-pentadecylpiperidin-4-yl)piperidin-1-yl]hexan-1-one
CID 44592906
1-[4-[1-[(2S)-2,6-diaminohexanoyl]piperidin-4-yl]piperidin-1-yl]pentadecan-1-one
CID 44592922
(6S)-1-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281052
4-ethyl-N-(3-methyl-1-{[3-(2-methylpiperidin-1-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 16187660
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-cyclooctylethyl)propanamide
CID 49854189

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide?
The IUPAC name of N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide (CID 155699977) is N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide?
The canonical SMILES for N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide is CN1CC(C2CCC(C(=O)NCC3CCCC(F)C3)NC2)CCC1=O.
What is the InChIKey of N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide?
The InChIKey is WZMVAEIZKPGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O2/c1-23-12-15(6-8-18(23)24)14-5-7-17(21-11-14)19(25)22-10-13-3-2-4-16(20)9-13/h13-17,21H,2-12H2,1H3,(H,22,25).
What are the key properties of N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide?
N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide has a molecular weight of 353.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 155699977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).