N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C22H31N5O — CID 55575997

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2CCCN(c3ncccn3)C2)N(C)C)cc1
InChIInChI=1S/C22H31N5O/c1-4-17-8-10-18(11-9-17)20(26(2)3)15-25-21(28)19-7-5-14-27(16-19)22-23-12-6-13-24-22/h6,8-13,19-20H,4-5,7,14-16H2,1-3H3,(H,25,28)
InChIKeyPWGXQTSJXKGWLN-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55575997) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55575997
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2CCCN(c3ncccn3)C2)N(C)C)cc1
InChIInChI=1S/C22H31N5O/c1-4-17-8-10-18(11-9-17)20(26(2)3)15-25-21(28)19-7-5-14-27(16-19)22-23-12-6-13-24-22/h6,8-13,19-20H,4-5,7,14-16H2,1-3H3,(H,25,28)
InChIKeyPWGXQTSJXKGWLN-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
(3R)-N-[(2S)-2,3-dihydroxypropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 41118231
N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 42953350
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-[1-[4-(propanoylamino)phenyl]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55655942
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55610847
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085826
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55575997) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCc1ccc(C(CNC(=O)C2CCCN(c3ncccn3)C2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is PWGXQTSJXKGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-4-17-8-10-18(11-9-17)20(26(2)3)15-25-21(28)19-7-5-14-27(16-19)22-23-12-6-13-24-22/h6,8-13,19-20H,4-5,7,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55575997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).