N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide

C23H26N2O — CID 51092869

IUPACN-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26N2O/c1-2-15-25-16-13-21(14-17-25)23(26)24-18-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h1,3-12,21-22H,13-18H2,(H,24,26)
InChIKeyGJTOCYQXYWRWBZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.28
Rot. Bonds6

About N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide

N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 51092869) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID51092869
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26N2O/c1-2-15-25-16-13-21(14-17-25)23(26)24-18-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h1,3-12,21-22H,13-18H2,(H,24,26)
InChIKeyGJTOCYQXYWRWBZ-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 111102602
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60562956
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 119254948
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 134012964
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide (CID 51092869) is N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is GJTOCYQXYWRWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-15-25-16-13-21(14-17-25)23(26)24-18-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h1,3-12,21-22H,13-18H2,(H,24,26).
What are the key properties of N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide?
N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 51092869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).