N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

C15H25N3O4S — CID 110871494

IUPACN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C15H25N3O4S/c1-23(21,22)18-8-4-11(5-9-18)14(19)16-13-6-7-17(10-13)15(20)12-2-3-12/h11-13H,2-10H2,1H3,(H,16,19)
InChIKeyLCKMUPXZGXXZJF-UHFFFAOYSA-N
MW343.45 g/mol
LogP-0.21
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110871494) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110871494
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C15H25N3O4S/c1-23(21,22)18-8-4-11(5-9-18)14(19)16-13-6-7-17(10-13)15(20)12-2-3-12/h11-13H,2-10H2,1H3,(H,16,19)
InChIKeyLCKMUPXZGXXZJF-UHFFFAOYSA-N
XLogP-0.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30711489
4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 129468739
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
CID 95148105
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94008544
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 110871494) is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCN(C(=O)C3CC3)C2)CC1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LCKMUPXZGXXZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-23(21,22)18-8-4-11(5-9-18)14(19)16-13-6-7-17(10-13)15(20)12-2-3-12/h11-13H,2-10H2,1H3,(H,16,19).
What are the key properties of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110871494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).