3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

C26H38N4O2 — CID 45173771

IUPAC3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)CCn2ccnc2C)CC1
InChIInChI=1S/C26H38N4O2/c1-21-6-3-4-7-24(21)19-28-13-9-23(10-14-28)18-30(20-25-8-5-17-32-25)26(31)11-15-29-16-12-27-22(29)2/h3-4,6-7,12,16,23,25H,5,8-11,13-15,17-20H2,1-2H3
InChIKeyMQXVKIOWRZXCGR-UHFFFAOYSA-N
MW438.62 g/mol
LogP3.81
Rot. Bonds9

About 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 45173771) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID45173771
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)CCn2ccnc2C)CC1
InChIInChI=1S/C26H38N4O2/c1-21-6-3-4-7-24(21)19-28-13-9-23(10-14-28)18-30(20-25-8-5-17-32-25)26(31)11-15-29-16-12-27-22(29)2/h3-4,6-7,12,16,23,25H,5,8-11,13-15,17-20H2,1-2H3
InChIKeyMQXVKIOWRZXCGR-UHFFFAOYSA-N
XLogP3.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42557577
2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45193260
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 72927308
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 45221593
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42214950
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929
4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 25286863
1-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 25380612
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 42566535
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
CID 97285148
5-chloro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 26330943

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 45173771) is 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)CCn2ccnc2C)CC1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MQXVKIOWRZXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-21-6-3-4-7-24(21)19-28-13-9-23(10-14-28)18-30(20-25-8-5-17-32-25)26(31)11-15-29-16-12-27-22(29)2/h3-4,6-7,12,16,23,25H,5,8-11,13-15,17-20H2,1-2H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 438.62 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 45173771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).