N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

C19H22N4O — CID 118450770

IUPACN-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C19H22N4O/c24-19(22-16-6-7-16)15-8-10-23(11-9-15)17-12-20-13-21-18(17)14-4-2-1-3-5-14/h1-5,12-13,15-16H,6-11H2,(H,22,24)
InChIKeyKAUCBJGFTGHAEU-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.64
Rot. Bonds4

About N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 118450770) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID118450770
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C19H22N4O/c24-19(22-16-6-7-16)15-8-10-23(11-9-15)17-12-20-13-21-18(17)14-4-2-1-3-5-14/h1-5,12-13,15-16H,6-11H2,(H,22,24)
InChIKeyKAUCBJGFTGHAEU-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (CID 118450770) is N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2cncnc2-c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is KAUCBJGFTGHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(22-16-6-7-16)15-8-10-23(11-9-15)17-12-20-13-21-18(17)14-4-2-1-3-5-14/h1-5,12-13,15-16H,6-11H2,(H,22,24).
What are the key properties of N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).