N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide

C19H22N4O — CID 118450590

IUPACN-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2cnccc2-c2ccccc2)CC1
InChIInChI=1S/C19H22N4O/c24-19(21-16-6-7-16)23-12-10-22(11-13-23)18-14-20-9-8-17(18)15-4-2-1-3-5-15/h1-5,8-9,14,16H,6-7,10-13H2,(H,21,24)
InChIKeyAKSPDKZFXRDWGE-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.74
Rot. Bonds3

About N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide

N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 118450590) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID118450590
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2cnccc2-c2ccccc2)CC1
InChIInChI=1S/C19H22N4O/c24-19(21-16-6-7-16)23-12-10-22(11-13-23)18-14-20-9-8-17(18)15-4-2-1-3-5-15/h1-5,8-9,14,16H,6-7,10-13H2,(H,21,24)
InChIKeyAKSPDKZFXRDWGE-UHFFFAOYSA-N
XLogP2.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide (CID 118450590) is N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide is O=C(NC1CC1)N1CCN(c2cnccc2-c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is AKSPDKZFXRDWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(21-16-6-7-16)23-12-10-22(11-13-23)18-14-20-9-8-17(18)15-4-2-1-3-5-15/h1-5,8-9,14,16H,6-7,10-13H2,(H,21,24).
What are the key properties of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide?
N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 118450590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).