4-benzylpiperazine-1-carboxamide

C12H17N3O — CID 851861

IUPAC4-benzylpiperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H17N3O/c13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,16)
InChIKeyDFVMGPBDKDGCQY-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.88
Rot. Bonds2

About 4-benzylpiperazine-1-carboxamide

4-benzylpiperazine-1-carboxamide (PubChem CID 851861) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-benzylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzylpiperazine-1-carboxamide
PubChem CID851861
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-benzylpiperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H17N3O/c13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,16)
InChIKeyDFVMGPBDKDGCQY-UHFFFAOYSA-N
XLogP0.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylpiperazine-1-carboxamide?
The IUPAC name of 4-benzylpiperazine-1-carboxamide (CID 851861) is 4-benzylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzylpiperazine-1-carboxamide is NC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylpiperazine-1-carboxamide?
The InChIKey is DFVMGPBDKDGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,16).
What are the key properties of 4-benzylpiperazine-1-carboxamide?
4-benzylpiperazine-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpiperazine-1-carboxamide is sourced from PubChem (CID 851861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).