(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide

C21H27N5O — CID 126433574

IUPAC(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C21H27N5O/c27-21(26-11-3-5-18(16-26)15-24-14-10-22-17-24)23-9-4-12-25-13-8-19-6-1-2-7-20(19)25/h1-2,6-8,10,13-14,17-18H,3-5,9,11-12,15-16H2,(H,23,27)/t18-/m1/s1
InChIKeyHCYLTKSDXWTADJ-GOSISDBHSA-N
MW365.48 g/mol
LogP3.35
Rot. Bonds6

About (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide

(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 126433574) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
PubChem CID126433574
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C21H27N5O/c27-21(26-11-3-5-18(16-26)15-24-14-10-22-17-24)23-9-4-12-25-13-8-19-6-1-2-7-20(19)25/h1-2,6-8,10,13-14,17-18H,3-5,9,11-12,15-16H2,(H,23,27)/t18-/m1/s1
InChIKeyHCYLTKSDXWTADJ-GOSISDBHSA-N
XLogP3.35
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.35
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

(3S)-3-(imidazol-1-ylmethyl)-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide
CID 126451945
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126424079
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide;formic acid
CID 154907685
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 132761951
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide
CID 136531373
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 78882953
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111766155
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide (CID 126433574) is (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide is O=C(NCCCn1ccc2ccccc21)N1CCC[C@H](Cn2ccnc2)C1.
What is the InChIKey of (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is HCYLTKSDXWTADJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(26-11-3-5-18(16-26)15-24-14-10-22-17-24)23-9-4-12-25-13-8-19-6-1-2-7-20(19)25/h1-2,6-8,10,13-14,17-18H,3-5,9,11-12,15-16H2,(H,23,27)/t18-/m1/s1.
What are the key properties of (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide?
(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 126433574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).