1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide

C18H29N3O — CID 70503718

IUPAC1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide
SMILESCCCNC(=O)C1CNCCN1c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H29N3O/c1-4-9-20-18(22)17-13-19-10-11-21(17)16-7-5-15(6-8-16)12-14(2)3/h5-8,14,17,19H,4,9-13H2,1-3H3,(H,20,22)
InChIKeyJCNFPHVDPRAKGB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.19
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide

1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide (PubChem CID 70503718) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide
PubChem CID70503718
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide
SMILESCCCNC(=O)C1CNCCN1c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H29N3O/c1-4-9-20-18(22)17-13-19-10-11-21(17)16-7-5-15(6-8-16)12-14(2)3/h5-8,14,17,19H,4,9-13H2,1-3H3,(H,20,22)
InChIKeyJCNFPHVDPRAKGB-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide (CID 70503718) is 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide is CCCNC(=O)C1CNCCN1c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide?
The InChIKey is JCNFPHVDPRAKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-9-20-18(22)17-13-19-10-11-21(17)16-7-5-15(6-8-16)12-14(2)3/h5-8,14,17,19H,4,9-13H2,1-3H3,(H,20,22).
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide?
1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-propylpiperazine-2-carboxamide is sourced from PubChem (CID 70503718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).