N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide

C26H36N4O2 — CID 45182987

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)C(c2cccnc2)N2CCOCC2)CC1
InChIInChI=1S/C26H36N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25H,9-11,13-19,21H2,1H3
InChIKeyUAWZSYPENMQHLR-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.87
Rot. Bonds8

About N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide

N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide (PubChem CID 45182987) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide
PubChem CID45182987
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)C(c2cccnc2)N2CCOCC2)CC1
InChIInChI=1S/C26H36N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25H,9-11,13-19,21H2,1H3
InChIKeyUAWZSYPENMQHLR-UHFFFAOYSA-N
XLogP2.87
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide with MolForge

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Related Compounds

(2S)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154728
(2R)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154727
(2R)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97271373
1-(4-methylpiperazin-1-yl)-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 167684149
2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 42098691
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide
CID 25375909
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 122572025
N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 72873217
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
N-methyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 74230201
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
CID 56896686

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide (CID 45182987) is N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide is CN1CCC(CN(CCc2ccccc2)C(=O)C(c2cccnc2)N2CCOCC2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide?
The InChIKey is UAWZSYPENMQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25H,9-11,13-19,21H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide?
N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide has a molecular weight of 436.60 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 45182987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).