N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide

C16H29F2N3O3S — CID 119785752

IUPACN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCNC1
InChIInChI=1S/C16H29F2N3O3S/c1-12(14-3-2-6-19-11-14)9-15(22)20-10-13-4-7-21(8-5-13)25(23,24)16(17)18/h12-14,16,19H,2-11H2,1H3,(H,20,22)
InChIKeyPSIDYOOYEWZUNS-UHFFFAOYSA-N
MW381.49 g/mol
LogP1.39
Rot. Bonds7

About N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119785752) has the molecular formula C16H29F2N3O3S and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
PubChem CID119785752
Molecular FormulaC16H29F2N3O3S
Molecular Weight381.49 g/mol
Exact Mass381.19
IUPAC NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCNC1
InChIInChI=1S/C16H29F2N3O3S/c1-12(14-3-2-6-19-11-14)9-15(22)20-10-13-4-7-21(8-5-13)25(23,24)16(17)18/h12-14,16,19H,2-11H2,1H3,(H,20,22)
InChIKeyPSIDYOOYEWZUNS-UHFFFAOYSA-N
XLogP1.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide (CID 119785752) is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCNC1.
What is the InChIKey of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is PSIDYOOYEWZUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N3O3S/c1-12(14-3-2-6-19-11-14)9-15(22)20-10-13-4-7-21(8-5-13)25(23,24)16(17)18/h12-14,16,19H,2-11H2,1H3,(H,20,22).
What are the key properties of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide?
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 381.49 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119785752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).