N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide

C19H32FN5O — CID 165156946

IUPACN-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
SMILESCC1NCCC(C(=O)NC2CCC(CC3CC(F)CC(C#N)C3)CN2)N1
InChIInChI=1S/C19H32FN5O/c1-12-22-5-4-17(24-12)19(26)25-18-3-2-13(11-23-18)6-14-7-15(10-21)9-16(20)8-14/h12-18,22-24H,2-9,11H2,1H3,(H,25,26)
InChIKeyBAQLLETWBPGKLM-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.39
Rot. Bonds4

About N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide

N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide (PubChem CID 165156946) has the molecular formula C19H32FN5O and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
PubChem CID165156946
Molecular FormulaC19H32FN5O
Molecular Weight365.50 g/mol
Exact Mass365.26
IUPAC NameN-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
SMILESCC1NCCC(C(=O)NC2CCC(CC3CC(F)CC(C#N)C3)CN2)N1
InChIInChI=1S/C19H32FN5O/c1-12-22-5-4-17(24-12)19(26)25-18-3-2-13(11-23-18)6-14-7-15(10-21)9-16(20)8-14/h12-18,22-24H,2-9,11H2,1H3,(H,25,26)
InChIKeyBAQLLETWBPGKLM-UHFFFAOYSA-N
XLogP1.39
TPSA88.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
CID 153179429
(9aR)-2-[6-(3-cyano-5-fluorocyclohexyl)-1,3-diazinan-4-yl]-1-oxo-3,4,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carbonitrile
CID 162453327
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide
CID 165156949
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-5-methyl-1,3-diazinane-2-carboxamide
CID 165156962
N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
CID 165156978
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide
CID 165156981
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide
CID 165157021
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide
CID 165157059
4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 22260505
N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpiperazine-1-carboxamide
CID 141163055

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide (CID 165156946) is N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide is CC1NCCC(C(=O)NC2CCC(CC3CC(F)CC(C#N)C3)CN2)N1.
What is the InChIKey of N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The InChIKey is BAQLLETWBPGKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN5O/c1-12-22-5-4-17(24-12)19(26)25-18-3-2-13(11-23-18)6-14-7-15(10-21)9-16(20)8-14/h12-18,22-24H,2-9,11H2,1H3,(H,25,26).
What are the key properties of N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-cyano-5-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 165156946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).