N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

C15H30ClN3O3S — CID 119554979

IUPACN-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCl.O=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCCNC1
InChIInChI=1S/C15H29N3O3S.ClH/c19-15(17-9-7-14-5-3-8-16-13-14)6-4-12-22(20,21)18-10-1-2-11-18;/h14,16H,1-13H2,(H,17,19);1H
InChIKeyJHBDBZRPXHGGHF-UHFFFAOYSA-N
MW367.94 g/mol
LogP1.12
Rot. Bonds8

About N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (PubChem CID 119554979) has the molecular formula C15H30ClN3O3S and a molecular weight of 367.94 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
PubChem CID119554979
Molecular FormulaC15H30ClN3O3S
Molecular Weight367.94 g/mol
Exact Mass367.17
IUPAC NameN-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCl.O=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCCNC1
InChIInChI=1S/C15H29N3O3S.ClH/c19-15(17-9-7-14-5-3-8-16-13-14)6-4-12-22(20,21)18-10-1-2-11-18;/h14,16H,1-13H2,(H,17,19);1H
InChIKeyJHBDBZRPXHGGHF-UHFFFAOYSA-N
XLogP1.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
CID 119556402
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
CID 119461322
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557552
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (CID 119554979) is N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is Cl.O=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCCNC1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The InChIKey is JHBDBZRPXHGGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S.ClH/c19-15(17-9-7-14-5-3-8-16-13-14)6-4-12-22(20,21)18-10-1-2-11-18;/h14,16H,1-13H2,(H,17,19);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride has a molecular weight of 367.94 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119554979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).