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

C16H25N5O2 — CID 14763478

IUPAC4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H25N5O2/c1-19(2)8-7-18-16(23)21-11-9-20(10-12-21)14-5-3-13(4-6-14)15(17)22/h3-6H,7-12H2,1-2H3,(H2,17,22)(H,18,23)
InChIKeyWSOFTFXUSIGJBD-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.18
Rot. Bonds5

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

4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 14763478) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
PubChem CID14763478
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H25N5O2/c1-19(2)8-7-18-16(23)21-11-9-20(10-12-21)14-5-3-13(4-6-14)15(17)22/h3-6H,7-12H2,1-2H3,(H2,17,22)(H,18,23)
InChIKeyWSOFTFXUSIGJBD-UHFFFAOYSA-N
XLogP0.18
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (CID 14763478) is 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is WSOFTFXUSIGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19(2)8-7-18-16(23)21-11-9-20(10-12-21)14-5-3-13(4-6-14)15(17)22/h3-6H,7-12H2,1-2H3,(H2,17,22)(H,18,23).
What are the key properties of 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 14763478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).