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

C17H29FN4O2 — CID 165156949

IUPACN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide
SMILESO=C1NCCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1
InChIInChI=1S/C17H29FN4O2/c18-13-3-1-2-11(9-13)8-12-4-5-15(20-10-12)22-16(23)14-6-7-19-17(24)21-14/h11-15,20H,1-10H2,(H,22,23)(H2,19,21,24)
InChIKeyKFPVCQYKGIGSFM-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.42
Rot. Bonds4

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

N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide (PubChem CID 165156949) has the molecular formula C17H29FN4O2 and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide
PubChem CID165156949
Molecular FormulaC17H29FN4O2
Molecular Weight340.44 g/mol
Exact Mass340.23
IUPAC NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide
SMILESO=C1NCCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1
InChIInChI=1S/C17H29FN4O2/c18-13-3-1-2-11(9-13)8-12-4-5-15(20-10-12)22-16(23)14-6-7-19-17(24)21-14/h11-15,20H,1-10H2,(H,22,23)(H2,19,21,24)
InChIKeyKFPVCQYKGIGSFM-UHFFFAOYSA-N
XLogP1.42
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide (CID 165156949) is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide is O=C1NCCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1.
What is the InChIKey of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is KFPVCQYKGIGSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN4O2/c18-13-3-1-2-11(9-13)8-12-4-5-15(20-10-12)22-16(23)14-6-7-19-17(24)21-14/h11-15,20H,1-10H2,(H,22,23)(H2,19,21,24).
What are the key properties of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide?
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 165156949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).