(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C26H33N5O2 — CID 67099408

IUPAC(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCn1c(-c2cccc(N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)c2)nc2ccccc21
InChIInChI=1S/C26H33N5O2/c1-29-24-10-3-2-9-23(24)28-25(29)20-6-4-8-22(18-20)31-12-5-7-21(19-31)26(32)27-11-13-30-14-16-33-17-15-30/h2-4,6,8-10,18,21H,5,7,11-17,19H2,1H3,(H,27,32)/t21-/m0/s1
InChIKeyOCCSKQNHIHBWDB-NRFANRHFSA-N
MW447.58 g/mol
LogP2.91
Rot. Bonds6

About (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 67099408) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID67099408
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCn1c(-c2cccc(N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)c2)nc2ccccc21
InChIInChI=1S/C26H33N5O2/c1-29-24-10-3-2-9-23(24)28-25(29)20-6-4-8-22(18-20)31-12-5-7-21(19-31)26(32)27-11-13-30-14-16-33-17-15-30/h2-4,6,8-10,18,21H,5,7,11-17,19H2,1H3,(H,27,32)/t21-/m0/s1
InChIKeyOCCSKQNHIHBWDB-NRFANRHFSA-N
XLogP2.91
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 67099362
[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 66977509
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 159462672
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 95100941
[3-(dimethylamino)pyrrolidin-1-yl]-[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]methanone;formic acid
CID 159968849
(3S)-1-[6-(3-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055910
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 53166012
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 16669340
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 53203905
(3S)-N-(2-morpholin-4-ylethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701570

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 67099408) is (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is Cn1c(-c2cccc(N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)c2)nc2ccccc21.
What is the InChIKey of (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is OCCSKQNHIHBWDB-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-29-24-10-3-2-9-23(24)28-25(29)20-6-4-8-22(18-20)31-12-5-7-21(19-31)26(32)27-11-13-30-14-16-33-17-15-30/h2-4,6,8-10,18,21H,5,7,11-17,19H2,1H3,(H,27,32)/t21-/m0/s1.
What are the key properties of (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 67099408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).