N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide

C17H32N2O3S — CID 119682490

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide
SMILESCCCCN(C(=O)CC(C)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H32N2O3S/c1-3-4-9-19(16-7-10-23(21,22)13-16)17(20)11-14(2)15-6-5-8-18-12-15/h14-16,18H,3-13H2,1-2H3
InChIKeyKDSXJEXAECJSCE-UHFFFAOYSA-N
MW344.52 g/mol
LogP1.83
Rot. Bonds7

About N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119682490) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide
PubChem CID119682490
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide
SMILESCCCCN(C(=O)CC(C)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H32N2O3S/c1-3-4-9-19(16-7-10-23(21,22)13-16)17(20)11-14(2)15-6-5-8-18-12-15/h14-16,18H,3-13H2,1-2H3
InChIKeyKDSXJEXAECJSCE-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
CID 119683492
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-cyclopropyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide
CID 81043582
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
CID 81048851
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide (CID 119682490) is N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide is CCCCN(C(=O)CC(C)C1CCCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is KDSXJEXAECJSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-3-4-9-19(16-7-10-23(21,22)13-16)17(20)11-14(2)15-6-5-8-18-12-15/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 344.52 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119682490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).