2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

C26H35N3O — CID 46952067

IUPAC2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCC1CCN(C(C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1
InChIInChI=1S/C26H35N3O/c1-21-14-18-29(19-15-21)25(23-8-4-2-5-9-23)26(30)27-20-22-10-12-24(13-11-22)28-16-6-3-7-17-28/h2,4-5,8-13,21,25H,3,6-7,14-20H2,1H3,(H,27,30)
InChIKeyFAFYXAARWIMOSM-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 46952067) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID46952067
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCC1CCN(C(C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1
InChIInChI=1S/C26H35N3O/c1-21-14-18-29(19-15-21)25(23-8-4-2-5-9-23)26(30)27-20-22-10-12-24(13-11-22)28-16-6-3-7-17-28/h2,4-5,8-13,21,25H,3,6-7,14-20H2,1H3,(H,27,30)
InChIKeyFAFYXAARWIMOSM-UHFFFAOYSA-N
XLogP4.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 119904237
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56505304
(2R)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049780
(2S)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049776
N-[(4-hydroxyphenyl)methyl]-2-[4-[4-(5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 70842313
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505171
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
N-(3-cyclopentylpropyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56510051
2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
CID 131937524

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (CID 46952067) is 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is CC1CCN(C(C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is FAFYXAARWIMOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-21-14-18-29(19-15-21)25(23-8-4-2-5-9-23)26(30)27-20-22-10-12-24(13-11-22)28-16-6-3-7-17-28/h2,4-5,8-13,21,25H,3,6-7,14-20H2,1H3,(H,27,30).
What are the key properties of 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 405.59 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 46952067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).