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

C26H41N3O2 — CID 42565339

IUPACN-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCCN(C[C@H]1CCCO1)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/t25-/m1/s1
InChIKeyCANMKGVRDHBYSB-RUZDIDTESA-N
MW427.63 g/mol
LogP3.70
Rot. Bonds7

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

N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 42565339) 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-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID42565339
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC NameN-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCCN(C[C@H]1CCCO1)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/t25-/m1/s1
InChIKeyCANMKGVRDHBYSB-RUZDIDTESA-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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Related Compounds

2-(diethylamino)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42557577
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 72927308
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 74555837
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 72881292
4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42214950
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
CID 97285148
N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 56874677
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 45221593
2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45193260
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 N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 42565339) is N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is CCN(C[C@H]1CCCO1)C(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1.
What is the InChIKey of N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CANMKGVRDHBYSB-RUZDIDTESA-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/t25-/m1/s1.
What are the key properties of N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]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-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42565339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).