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

C15H29F2N3O — CID 154671509

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

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

N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen (PubChem CID 154671509) has the molecular formula C15H29F2N3O and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
PubChem CID154671509
Molecular FormulaC15H29F2N3O
Molecular Weight305.41 g/mol
Exact Mass305.23
IUPAC NameN-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
SMILESCC(=O)NC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.[H][H]
InChIInChI=1S/C15H27F2N3O.H2/c1-11(2)20-9-6-14(15(16,17)10-20)19-7-4-13(5-8-19)18-12(3)21;/h11,13-14H,4-10H2,1-3H3,(H,18,21);1H
InChIKeyMVTVDIGEYRYZAX-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-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
CID 154671259
1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
CID 165059219
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796831
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
bis(1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one);1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;1-[3-fluoro-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one
CID 167679984
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine
CID 176559274
2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 43700528
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
CID 68573955

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen (CID 154671509) is N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen is CC(=O)NC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.[H][H].
What is the InChIKey of N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
The InChIKey is MVTVDIGEYRYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O.H2/c1-11(2)20-9-6-14(15(16,17)10-20)19-7-4-13(5-8-19)18-12(3)21;/h11,13-14H,4-10H2,1-3H3,(H,18,21);1H.
What are the key properties of N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen?
N-[1-(3,3-difluoro-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-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 154671509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).