N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide

C25H33N3O2 — CID 55629106

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c1-4-27(18-21-12-14-23(15-13-21)26(2)3)25(30)22-11-8-16-28(19-22)24(29)17-20-9-6-5-7-10-20/h5-7,9-10,12-15,22H,4,8,11,16-19H2,1-3H3
InChIKeyLQZFYBVGXWOCEY-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.58
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55629106) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55629106
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c1-4-27(18-21-12-14-23(15-13-21)26(2)3)25(30)22-11-8-16-28(19-22)24(29)17-20-9-6-5-7-10-20/h5-7,9-10,12-15,22H,4,8,11,16-19H2,1-3H3
InChIKeyLQZFYBVGXWOCEY-UHFFFAOYSA-N
XLogP3.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
ethyl (3S)-1-[2-[4-[benzyl(cyclopentanecarbonyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329381
ethyl (3S)-1-[2-[4-[benzyl(propanoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329378
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55761312
N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46546153
(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 51939813
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 60939526

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55629106) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is LQZFYBVGXWOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-27(18-21-12-14-23(15-13-21)26(2)3)25(30)22-11-8-16-28(19-22)24(29)17-20-9-6-5-7-10-20/h5-7,9-10,12-15,22H,4,8,11,16-19H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55629106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).