N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

C18H22N4O — CID 90349890

IUPACN-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O/c1-2-17(23)22(15-7-4-3-5-8-15)16-9-13-21(14-10-16)18-19-11-6-12-20-18/h3-8,11-12,16H,2,9-10,13-14H2,1H3
InChIKeyJDVBXWQSQPTKKR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds4

About N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (PubChem CID 90349890) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
PubChem CID90349890
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O/c1-2-17(23)22(15-7-4-3-5-8-15)16-9-13-21(14-10-16)18-19-11-6-12-20-18/h3-8,11-12,16H,2,9-10,13-14H2,1H3
InChIKeyJDVBXWQSQPTKKR-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (CID 90349890) is N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is CCC(=O)N(c1ccccc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is JDVBXWQSQPTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-17(23)22(15-7-4-3-5-8-15)16-9-13-21(14-10-16)18-19-11-6-12-20-18/h3-8,11-12,16H,2,9-10,13-14H2,1H3.
What are the key properties of N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 90349890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).