N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide

C16H30N2O3S — CID 119683492

IUPACN-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H30N2O3S/c1-3-8-18(15-6-9-22(20,21)12-15)16(19)10-13(2)14-5-4-7-17-11-14/h13-15,17H,3-12H2,1-2H3
InChIKeyVMDXFYSNRVYMLY-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.44
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide

N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide (PubChem CID 119683492) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
PubChem CID119683492
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H30N2O3S/c1-3-8-18(15-6-9-22(20,21)12-15)16(19)10-13(2)14-5-4-7-17-11-14/h13-15,17H,3-12H2,1-2H3
InChIKeyVMDXFYSNRVYMLY-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-ylbutanamide
CID 119682490
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-cyclopropyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide
CID 81043582
2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
CID 63638478
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
CID 81048851
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide (CID 119683492) is N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide is CCCN(C(=O)CC(C)C1CCCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide?
The InChIKey is VMDXFYSNRVYMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-3-8-18(15-6-9-22(20,21)12-15)16(19)10-13(2)14-5-4-7-17-11-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide?
N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide has a molecular weight of 330.49 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide is sourced from PubChem (CID 119683492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).