4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C14H23N5O3S — CID 91910251

IUPAC4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(S(=O)(=O)c3cnc[nH]3)C2)CC1
InChIInChI=1S/C14H23N5O3S/c1-15-14(20)18-5-2-11(3-6-18)12-4-7-19(9-12)23(21,22)13-8-16-10-17-13/h8,10-12H,2-7,9H2,1H3,(H,15,20)(H,16,17)
InChIKeyRMSSLJZAAZTQPD-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.47
Rot. Bonds3

About 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910251) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910251
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(S(=O)(=O)c3cnc[nH]3)C2)CC1
InChIInChI=1S/C14H23N5O3S/c1-15-14(20)18-5-2-11(3-6-18)12-4-7-19(9-12)23(21,22)13-8-16-10-17-13/h8,10-12H,2-7,9H2,1H3,(H,15,20)(H,16,17)
InChIKeyRMSSLJZAAZTQPD-UHFFFAOYSA-N
XLogP0.47
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910251) is 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(S(=O)(=O)c3cnc[nH]3)C2)CC1.
What is the InChIKey of 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is RMSSLJZAAZTQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-15-14(20)18-5-2-11(3-6-18)12-4-7-19(9-12)23(21,22)13-8-16-10-17-13/h8,10-12H,2-7,9H2,1H3,(H,15,20)(H,16,17).
What are the key properties of 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).