1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide

C19H24N4O2 — CID 90552343

IUPAC1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-22-12-3-5-16(14-22)18(24)20-10-2-4-15-6-8-17(9-7-15)23-13-11-21-19(23)25/h6-9,16H,3,5,10-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyTUBKZIQKFCCUED-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.03
Rot. Bonds3

About 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide

1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide (PubChem CID 90552343) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide
PubChem CID90552343
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-22-12-3-5-16(14-22)18(24)20-10-2-4-15-6-8-17(9-7-15)23-13-11-21-19(23)25/h6-9,16H,3,5,10-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyTUBKZIQKFCCUED-UHFFFAOYSA-N
XLogP1.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide
CID 90552360
3,5-dimethyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552376
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide
CID 90552459
1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554526
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
CID 90552526
1-(3,5-dimethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554549
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide
CID 90552512
3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552532
N-[3-(4-fluorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548213
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552518
1-(4-fluorophenyl)-5-oxo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90551382
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide (CID 90552343) is 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide is CN1CCCC(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)C1.
What is the InChIKey of 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide?
The InChIKey is TUBKZIQKFCCUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-12-3-5-16(14-22)18(24)20-10-2-4-15-6-8-17(9-7-15)23-13-11-21-19(23)25/h6-9,16H,3,5,10-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide?
1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]piperidine-3-carboxamide is sourced from PubChem (CID 90552343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).