N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen

C15H29F2N3O — CID 154671259

IUPACN-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
SMILESCC(=O)NC1CCN(C2CCN(C(C)C)CC2)CC1(F)F.[H][H]
InChIInChI=1S/C15H27F2N3O.H2/c1-11(2)19-7-4-13(5-8-19)20-9-6-14(18-12(3)21)15(16,17)10-20;/h11,13-14H,4-10H2,1-3H3,(H,18,21);1H
InChIKeyZUYLOZZJBPNMNJ-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.95
Rot. Bonds3

About N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen

N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen (PubChem CID 154671259) has the molecular formula C15H29F2N3O and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
PubChem CID154671259
Molecular FormulaC15H29F2N3O
Molecular Weight305.41 g/mol
Exact Mass305.23
IUPAC NameN-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
SMILESCC(=O)NC1CCN(C2CCN(C(C)C)CC2)CC1(F)F.[H][H]
InChIInChI=1S/C15H27F2N3O.H2/c1-11(2)19-7-4-13(5-8-19)20-9-6-14(18-12(3)21)15(16,17)10-20;/h11,13-14H,4-10H2,1-3H3,(H,18,21);1H
InChIKeyZUYLOZZJBPNMNJ-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
CID 154671509
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 28955653
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 154671152
1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065657
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
2-fluoro-1-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]ethanone
CID 170144751
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
CID 68573955
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide
CID 154670628

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen (CID 154671259) is N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen is CC(=O)NC1CCN(C2CCN(C(C)C)CC2)CC1(F)F.[H][H].
What is the InChIKey of N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
The InChIKey is ZUYLOZZJBPNMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O.H2/c1-11(2)19-7-4-13(5-8-19)20-9-6-14(18-12(3)21)15(16,17)10-20;/h11,13-14H,4-10H2,1-3H3,(H,18,21);1H.
What are the key properties of N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen has a molecular weight of 305.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 154671259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).