1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C24H37N3O2 — CID 24794058

IUPAC1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)NCC3CCCO3)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-19-5-2-3-6-21(19)18-26-12-10-22(11-13-26)27-14-8-20(9-15-27)24(28)25-17-23-7-4-16-29-23/h2-3,5-6,20,22-23H,4,7-18H2,1H3,(H,25,28)
InChIKeyMPCXFRROFGMLFH-UHFFFAOYSA-N
MW399.58 g/mol
LogP2.97
Rot. Bonds6

About 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24794058) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24794058
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)NCC3CCCO3)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-19-5-2-3-6-21(19)18-26-12-10-22(11-13-26)27-14-8-20(9-15-27)24(28)25-17-23-7-4-16-29-23/h2-3,5-6,20,22-23H,4,7-18H2,1H3,(H,25,28)
InChIKeyMPCXFRROFGMLFH-UHFFFAOYSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-ethyl-1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24793902
N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24817644
N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 24817833
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-3-(4-morpholinyl)propanamide
CID 24818970
N-{3-[benzyl(isopropyl)amino]propyl}-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3242852
(3S)-N-{(2S)-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 17578104
(3S)-N-[(2R)-1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 17581880
N-(tetrahydro-2-furanylmethyl)-1'-(2,4,5-trimethylbenzyl)-1,4'-bipiperidine-4-carboxamide
CID 24816951
US10233152, Example 161
CID 129279644
US10233152, Example 151
CID 129279865
US11485731, Example 1R
CID 142428312
US11485731, Example 1AZ
CID 142428345

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 24794058) is 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cc1ccccc1CN1CCC(N2CCC(C(=O)NCC3CCCO3)CC2)CC1.
What is the InChIKey of 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MPCXFRROFGMLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-19-5-2-3-6-21(19)18-26-12-10-22(11-13-26)27-14-8-20(9-15-27)24(28)25-17-23-7-4-16-29-23/h2-3,5-6,20,22-23H,4,7-18H2,1H3,(H,25,28).
What are the key properties of 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24794058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).