3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one

C17H28F2N2O2 — CID 100617212

IUPAC3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)C2CCN(C(=O)C(C)(C)C(F)F)CC2)C1
InChIInChI=1S/C17H28F2N2O2/c1-12-5-4-8-21(11-12)14(22)13-6-9-20(10-7-13)16(23)17(2,3)15(18)19/h12-13,15H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyOWSKAFCGMPVZFQ-LBPRGKRZSA-N
MW330.42 g/mol
LogP2.77
Rot. Bonds3

About 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one

3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 100617212) has the molecular formula C17H28F2N2O2 and a molecular weight of 330.42 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID100617212
Molecular FormulaC17H28F2N2O2
Molecular Weight330.42 g/mol
Exact Mass330.21
IUPAC Name3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)C2CCN(C(=O)C(C)(C)C(F)F)CC2)C1
InChIInChI=1S/C17H28F2N2O2/c1-12-5-4-8-21(11-12)14(22)13-6-9-20(10-7-13)16(23)17(2,3)15(18)19/h12-13,15H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyOWSKAFCGMPVZFQ-LBPRGKRZSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 120847877
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 27262291
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 154756020
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 100617212) is 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one is C[C@H]1CCCN(C(=O)C2CCN(C(=O)C(C)(C)C(F)F)CC2)C1.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is OWSKAFCGMPVZFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28F2N2O2/c1-12-5-4-8-21(11-12)14(22)13-6-9-20(10-7-13)16(23)17(2,3)15(18)19/h12-13,15H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 330.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 100617212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).