N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide

C20H29N3O — CID 51092932

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NCc2ccc(N(CC)CC)cc2)CC1
InChIInChI=1S/C20H29N3O/c1-4-13-22-14-11-18(12-15-22)20(24)21-16-17-7-9-19(10-8-17)23(5-2)6-3/h1,7-10,18H,5-6,11-16H2,2-3H3,(H,21,24)
InChIKeyAPXLNPOZWQNGLO-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.49
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide

N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 51092932) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID51092932
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NCc2ccc(N(CC)CC)cc2)CC1
InChIInChI=1S/C20H29N3O/c1-4-13-22-14-11-18(12-15-22)20(24)21-16-17-7-9-19(10-8-17)23(5-2)6-3/h1,7-10,18H,5-6,11-16H2,2-3H3,(H,21,24)
InChIKeyAPXLNPOZWQNGLO-UHFFFAOYSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 73253676
N-[[3-(methylcarbamoyl)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55986573
N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 133210494
tert-butyl 4-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 40707660
4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
CID 48957963
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46483680
N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092869
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467
(3R)-N-[[4-(diethylamino)phenyl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115712

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide (CID 51092932) is N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)NCc2ccc(N(CC)CC)cc2)CC1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is APXLNPOZWQNGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-13-22-14-11-18(12-15-22)20(24)21-16-17-7-9-19(10-8-17)23(5-2)6-3/h1,7-10,18H,5-6,11-16H2,2-3H3,(H,21,24).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 51092932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).