1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide

C19H27N5O3S — CID 5308384

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
InChIInChI=1S/C19H27N5O3S/c1-23(17-8-3-2-4-9-17)11-6-10-21-19(25)16-7-5-12-24(14-16)28(26,27)18-13-20-15-22-18/h2-4,8-9,13,15-16H,5-7,10-12,14H2,1H3,(H,20,22)(H,21,25)
InChIKeyCQQMKYVVBSOXPR-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.45
Rot. Bonds8

About 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide (PubChem CID 5308384) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
PubChem CID5308384
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
InChIInChI=1S/C19H27N5O3S/c1-23(17-8-3-2-4-9-17)11-6-10-21-19(25)16-7-5-12-24(14-16)28(26,27)18-13-20-15-22-18/h2-4,8-9,13,15-16H,5-7,10-12,14H2,1H3,(H,20,22)(H,21,25)
InChIKeyCQQMKYVVBSOXPR-UHFFFAOYSA-N
XLogP1.45
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide (CID 5308384) is 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide is CN(CCCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide?
The InChIKey is CQQMKYVVBSOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-23(17-8-3-2-4-9-17)11-6-10-21-19(25)16-7-5-12-24(14-16)28(26,27)18-13-20-15-22-18/h2-4,8-9,13,15-16H,5-7,10-12,14H2,1H3,(H,20,22)(H,21,25).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 5308384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).