[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone

C25H33N3O2 — CID 45183893

IUPAC[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCN(Cc1ccncc1)C(Cc1ccccc1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C25H33N3O2/c1-27(19-21-9-13-26-14-10-21)23(18-20-6-3-2-4-7-20)22-11-15-28(16-12-22)25(29)24-8-5-17-30-24/h2-4,6-7,9-10,13-14,22-24H,5,8,11-12,15-19H2,1H3
InChIKeyJTBCQDJJIDHKEH-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.54
Rot. Bonds7

About [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 45183893) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID45183893
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCN(Cc1ccncc1)C(Cc1ccccc1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C25H33N3O2/c1-27(19-21-9-13-26-14-10-21)23(18-20-6-3-2-4-7-20)22-11-15-28(16-12-22)25(29)24-8-5-17-30-24/h2-4,6-7,9-10,13-14,22-24H,5,8,11-12,15-19H2,1H3
InChIKeyJTBCQDJJIDHKEH-UHFFFAOYSA-N
XLogP3.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide
CID 42238452
3-(1H-indol-3-yl)-1-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]propan-1-one
CID 45212669
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124546406
(2S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124546404
N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42433571
(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 42277931
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60543369
2-(2-chlorophenoxy)-1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]ethanone
CID 42407046
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768

Frequently Asked Questions

What is the IUPAC name of [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 45183893) is [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone is CN(Cc1ccncc1)C(Cc1ccccc1)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is JTBCQDJJIDHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-27(19-21-9-13-26-14-10-21)23(18-20-6-3-2-4-7-20)22-11-15-28(16-12-22)25(29)24-8-5-17-30-24/h2-4,6-7,9-10,13-14,22-24H,5,8,11-12,15-19H2,1H3.
What are the key properties of [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 407.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 45183893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).