N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C16H31N3O4S — CID 5123175

IUPACN-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H31N3O4S/c1-14(2)23-13-5-8-17-16(20)15-6-11-19(12-7-15)24(21,22)18-9-3-4-10-18/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyJXGIFINBEVHYJZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP0.97
Rot. Bonds8

About N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5123175) has the molecular formula C16H31N3O4S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID5123175
Molecular FormulaC16H31N3O4S
Molecular Weight361.51 g/mol
Exact Mass361.20
IUPAC NameN-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H31N3O4S/c1-14(2)23-13-5-8-17-16(20)15-6-11-19(12-7-15)24(21,22)18-9-3-4-10-18/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyJXGIFINBEVHYJZ-UHFFFAOYSA-N
XLogP0.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3603333
N-(3-ethoxypropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3235671
1-[(diisobutylamino)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241773
N-(3-isopropoxypropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245385
1-[(diisobutylamino)sulfonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 3239925
1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 3244851
N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 7175831
1-{1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3545167
N-butyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
CID 3572055
1-[bis(2-methylpropyl)sulfamoyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 4448278
N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 156601512
N-(3-ethoxypropyl)-1-methanesulfonylpiperidine-4-carboxamide
CID 2059428

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 5123175) is N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JXGIFINBEVHYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4S/c1-14(2)23-13-5-8-17-16(20)15-6-11-19(12-7-15)24(21,22)18-9-3-4-10-18/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5123175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).