N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide

C14H25F2N3O — CID 60606614

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2CCN(CC(F)F)CC2)C1
InChIInChI=1S/C14H25F2N3O/c1-11-3-2-6-19(9-11)14(20)17-12-4-7-18(8-5-12)10-13(15)16/h11-13H,2-10H2,1H3,(H,17,20)
InChIKeySIEQVJWHPJAFSC-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.16
Rot. Bonds3

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide (PubChem CID 60606614) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
PubChem CID60606614
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2CCN(CC(F)F)CC2)C1
InChIInChI=1S/C14H25F2N3O/c1-11-3-2-6-19(9-11)14(20)17-12-4-7-18(8-5-12)10-13(15)16/h11-13H,2-10H2,1H3,(H,17,20)
InChIKeySIEQVJWHPJAFSC-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide (CID 60606614) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC2CCN(CC(F)F)CC2)C1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The InChIKey is SIEQVJWHPJAFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-11-3-2-6-19(9-11)14(20)17-12-4-7-18(8-5-12)10-13(15)16/h11-13H,2-10H2,1H3,(H,17,20).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60606614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).