N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide

C21H22N4O — CID 11515763

IUPACN-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
InChIKeySNTCRRMCALVGNL-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.58
Rot. Bonds3

About N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide

N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 11515763) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID11515763
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
InChIKeySNTCRRMCALVGNL-UHFFFAOYSA-N
XLogP3.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide (CID 11515763) is N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1.
What is the InChIKey of N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SNTCRRMCALVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26).
What are the key properties of N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide?
N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 11515763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).