N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide

C15H25N3O3S — CID 56867451

IUPACN-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide
SMILESCCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccc1
InChIInChI=1S/C15H25N3O3S/c1-3-6-14(17-9-4-5-10-17)15(19)16-13-7-11-18(12-8-13)22(2,20)21/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H,16,19)
InChIKeyIGOKJWZWPFODQY-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.37
Rot. Bonds6

About N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide

N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide (PubChem CID 56867451) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide
PubChem CID56867451
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide
SMILESCCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccc1
InChIInChI=1S/C15H25N3O3S/c1-3-6-14(17-9-4-5-10-17)15(19)16-13-7-11-18(12-8-13)22(2,20)21/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H,16,19)
InChIKeyIGOKJWZWPFODQY-UHFFFAOYSA-N
XLogP1.37
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
CID 47460723
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
CID 43628807
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide
CID 118767116
1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 31989348
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride
CID 119341231

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide (CID 56867451) is N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide is CCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccc1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide?
The InChIKey is IGOKJWZWPFODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-3-6-14(17-9-4-5-10-17)15(19)16-13-7-11-18(12-8-13)22(2,20)21/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H,16,19).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide?
N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide has a molecular weight of 327.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 56867451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).