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

C26H41N3O2 — CID 24793902

IUPACN-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1
InChIInChI=1S/C26H41N3O2/c1-3-28(20-25-9-6-18-31-25)26(30)22-10-16-29(17-11-22)24-12-14-27(15-13-24)19-23-8-5-4-7-21(23)2/h4-5,7-8,22,24-25H,3,6,9-20H2,1-2H3
InChIKeyCANMKGVRDHBYSB-UHFFFAOYSA-N
MW427.63 g/mol
LogP3.70
Rot. Bonds7

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

N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24793902) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24793902
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC NameN-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1
InChIInChI=1S/C26H41N3O2/c1-3-28(20-25-9-6-18-31-25)26(30)22-10-16-29(17-11-22)24-12-14-27(15-13-24)19-23-8-5-4-7-21(23)2/h4-5,7-8,22,24-25H,3,6,9-20H2,1-2H3
InChIKeyCANMKGVRDHBYSB-UHFFFAOYSA-N
XLogP3.70
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 24793902) is N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CCN(CC1CCCO1)C(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1.
What is the InChIKey of N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is CANMKGVRDHBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-3-28(20-25-9-6-18-31-25)26(30)22-10-16-29(17-11-22)24-12-14-27(15-13-24)19-23-8-5-4-7-21(23)2/h4-5,7-8,22,24-25H,3,6,9-20H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 427.63 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24793902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).