N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide

C15H26N4O3S — CID 131890431

IUPACN-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)CCn2cccn2)CC1
InChIInChI=1S/C15H26N4O3S/c1-2-12-23(21,22)19-10-4-14(5-11-19)13-16-15(20)6-9-18-8-3-7-17-18/h3,7-8,14H,2,4-6,9-13H2,1H3,(H,16,20)
InChIKeyBUSNZQQHHINUJH-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.84
Rot. Bonds8

About N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide

N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide (PubChem CID 131890431) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
PubChem CID131890431
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)CCn2cccn2)CC1
InChIInChI=1S/C15H26N4O3S/c1-2-12-23(21,22)19-10-4-14(5-11-19)13-16-15(20)6-9-18-8-3-7-17-18/h3,7-8,14H,2,4-6,9-13H2,1H3,(H,16,20)
InChIKeyBUSNZQQHHINUJH-UHFFFAOYSA-N
XLogP0.84
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176
3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 131941530
1-propylsulfonyl-4-pyrazol-1-ylpiperidine
CID 110871195
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 131942617
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 131908741
3-pyrazol-1-yl-N-(2-sulfamoylethyl)propanamide
CID 61130673
N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
CID 43596290
N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide
CID 114146390
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide (CID 131890431) is N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide is CCCS(=O)(=O)N1CCC(CNC(=O)CCn2cccn2)CC1.
What is the InChIKey of N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is BUSNZQQHHINUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-12-23(21,22)19-10-4-14(5-11-19)13-16-15(20)6-9-18-8-3-7-17-18/h3,7-8,14H,2,4-6,9-13H2,1H3,(H,16,20).
What are the key properties of N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide?
N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 342.47 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 131890431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).