2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C16H29F2N3O — CID 69469624

IUPAC2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(F)(F)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C16H29F2N3O/c1-20-11-13(10-12-5-7-16(17,18)8-6-12)14-4-2-3-9-21(14)15(19)22/h12-14,20H,2-11H2,1H3,(H2,19,22)
InChIKeyWMFROTZPRMOXHC-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69469624) has the molecular formula C16H29F2N3O and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69469624
Molecular FormulaC16H29F2N3O
Molecular Weight317.42 g/mol
Exact Mass317.23
IUPAC Name2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(F)(F)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C16H29F2N3O/c1-20-11-13(10-12-5-7-16(17,18)8-6-12)14-4-2-3-9-21(14)15(19)22/h12-14,20H,2-11H2,1H3,(H2,19,22)
InChIKeyWMFROTZPRMOXHC-UHFFFAOYSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69469624) is 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNCC(CC1CCC(F)(F)CC1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is WMFROTZPRMOXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N3O/c1-20-11-13(10-12-5-7-16(17,18)8-6-12)14-4-2-3-9-21(14)15(19)22/h12-14,20H,2-11H2,1H3,(H2,19,22).
What are the key properties of 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69469624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).