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

C16H26N4O — CID 14763437

IUPAC4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-18(2)9-8-17-16(21)20-12-10-19(11-13-20)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,17,21)
InChIKeySZCRBWLSMZRQKQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.08
Rot. Bonds5

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

4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 14763437) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
PubChem CID14763437
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-18(2)9-8-17-16(21)20-12-10-19(11-13-20)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,17,21)
InChIKeySZCRBWLSMZRQKQ-UHFFFAOYSA-N
XLogP1.08
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (CID 14763437) is 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is SZCRBWLSMZRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18(2)9-8-17-16(21)20-12-10-19(11-13-20)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,17,21).
What are the key properties of 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 14763437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).