4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide

C14H24N4O3S — CID 155876535

IUPAC4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)N(C)C)(n2ccnc2)CC1
InChIInChI=1S/C14H24N4O3S/c1-4-11-22(20,21)18-8-5-14(6-9-18,13(19)16(2)3)17-10-7-15-12-17/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyNUVDVVCWCFIMMZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.50
Rot. Bonds5

About 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide

4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 155876535) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID155876535
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)N(C)C)(n2ccnc2)CC1
InChIInChI=1S/C14H24N4O3S/c1-4-11-22(20,21)18-8-5-14(6-9-18,13(19)16(2)3)17-10-7-15-12-17/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyNUVDVVCWCFIMMZ-UHFFFAOYSA-N
XLogP0.50
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155872498
azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid
CID 155873466
1-[(3,5-dimethoxyphenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155877437
1-(furan-2-ylmethyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874103
4-imidazol-1-yl-N,N-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 155871375
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
CID 171695756
6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
CID 172882114
3-imidazol-1-yl-N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxamide
CID 155878712
N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 86865848
4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 56700168
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 169490463

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide (CID 155876535) is 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)N(C)C)(n2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is NUVDVVCWCFIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-4-11-22(20,21)18-8-5-14(6-9-18,13(19)16(2)3)17-10-7-15-12-17/h7,10,12H,4-6,8-9,11H2,1-3H3.
What are the key properties of 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide?
4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 155876535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).