N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide

C13H20N4O — CID 70416652

IUPACN-[2-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccccc1NC(=O)N1CCNCC1
InChIInChI=1S/C13H20N4O/c1-16(2)12-6-4-3-5-11(12)15-13(18)17-9-7-14-8-10-17/h3-6,14H,7-10H2,1-2H3,(H,15,18)
InChIKeyZGKUPMPPEPFKGS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds2

About N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide

N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide (PubChem CID 70416652) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]piperazine-1-carboxamide
PubChem CID70416652
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[2-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccccc1NC(=O)N1CCNCC1
InChIInChI=1S/C13H20N4O/c1-16(2)12-6-4-3-5-11(12)15-13(18)17-9-7-14-8-10-17/h3-6,14H,7-10H2,1-2H3,(H,15,18)
InChIKeyZGKUPMPPEPFKGS-UHFFFAOYSA-N
XLogP1.19
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71941690
N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
CID 174500073
4-(2,2-difluoroethyl)-N-[2-(dimethylamino)phenyl]-1,4-diazepane-1-carboxamide
CID 75437516
2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 106760393
N-(1-methylindazol-4-yl)piperazine-1-carboxamide
CID 152683941
N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
CID 162623805
(3R)-N-(2-iodophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 165429772
3-[2-(1,4-diazepane-1-carbonylamino)phenyl]propanoic acid
CID 107274027
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide (CID 70416652) is N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide is CN(C)c1ccccc1NC(=O)N1CCNCC1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is ZGKUPMPPEPFKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)12-6-4-3-5-11(12)15-13(18)17-9-7-14-8-10-17/h3-6,14H,7-10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide?
N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 70416652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).