N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide

C20H27N5O — CID 102056903

IUPACN-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccccc2-c2ccccn2)CC1
InChIInChI=1S/C20H27N5O/c1-23(2)12-11-22-20(26)25-15-13-24(14-16-25)19-9-4-3-7-17(19)18-8-5-6-10-21-18/h3-10H,11-16H2,1-2H3,(H,22,26)
InChIKeyYUNPTLJCJZWRST-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 102056903) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide
PubChem CID102056903
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccccc2-c2ccccn2)CC1
InChIInChI=1S/C20H27N5O/c1-23(2)12-11-22-20(26)25-15-13-24(14-16-25)19-9-4-3-7-17(19)18-8-5-6-10-21-18/h3-10H,11-16H2,1-2H3,(H,22,26)
InChIKeyYUNPTLJCJZWRST-UHFFFAOYSA-N
XLogP2.14
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943839
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003951
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide (CID 102056903) is N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(c2ccccc2-c2ccccn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is YUNPTLJCJZWRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-23(2)12-11-22-20(26)25-15-13-24(14-16-25)19-9-4-3-7-17(19)18-8-5-6-10-21-18/h3-10H,11-16H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 102056903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).