(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide

C19H25N5O2 — CID 72916190

IUPAC(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCn3ccnc3)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-2-4-17(5-3-14)23-19(26)16-10-15(11-21-12-16)18(25)22-7-9-24-8-6-20-13-24/h2-6,8,13,15-16,21H,7,9-12H2,1H3,(H,22,25)(H,23,26)/t15-,16+/m1/s1
InChIKeyLEZQNKIYEZNLHE-CVEARBPZSA-N
MW355.44 g/mol
LogP1.17
Rot. Bonds6

About (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide

(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide (PubChem CID 72916190) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide
PubChem CID72916190
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCn3ccnc3)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-2-4-17(5-3-14)23-19(26)16-10-15(11-21-12-16)18(25)22-7-9-24-8-6-20-13-24/h2-6,8,13,15-16,21H,7,9-12H2,1H3,(H,22,25)(H,23,26)/t15-,16+/m1/s1
InChIKeyLEZQNKIYEZNLHE-CVEARBPZSA-N
XLogP1.17
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262248
(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide
CID 72855349
(3S)-1-(2-fluoro-4-methylphenyl)-N-(2-imidazol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 94021870
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356078
N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925980
(2S,4R)-4-(4-fluorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)-1-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 126463164
N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide
CID 73439221
1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 61461408
N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 75443494
N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide
CID 106739883
N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61324510
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide
CID 56852887

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide?
The IUPAC name of (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide (CID 72916190) is (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide?
The canonical SMILES for (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide is Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCn3ccnc3)C2)cc1.
What is the InChIKey of (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide?
The InChIKey is LEZQNKIYEZNLHE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-2-4-17(5-3-14)23-19(26)16-10-15(11-21-12-16)18(25)22-7-9-24-8-6-20-13-24/h2-6,8,13,15-16,21H,7,9-12H2,1H3,(H,22,25)(H,23,26)/t15-,16+/m1/s1.
What are the key properties of (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide?
(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide is sourced from PubChem (CID 72916190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).