(3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one

C23H29N3O — CID 95811862

IUPAC(3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCCCN1CCN(CC2CC2)[C@H](Cc2ccccc2-c2cccnc2)C1=O
InChIInChI=1S/C23H29N3O/c1-2-12-25-13-14-26(17-18-9-10-18)22(23(25)27)15-19-6-3-4-8-21(19)20-7-5-11-24-16-20/h3-8,11,16,18,22H,2,9-10,12-15,17H2,1H3/t22-/m1/s1
InChIKeyMCIJGXBZQIAJGY-JOCHJYFZSA-N
MW363.50 g/mol
LogP3.62
Rot. Bonds7

About (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one

(3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one (PubChem CID 95811862) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
PubChem CID95811862
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCCCN1CCN(CC2CC2)[C@H](Cc2ccccc2-c2cccnc2)C1=O
InChIInChI=1S/C23H29N3O/c1-2-12-25-13-14-26(17-18-9-10-18)22(23(25)27)15-19-6-3-4-8-21(19)20-7-5-11-24-16-20/h3-8,11,16,18,22H,2,9-10,12-15,17H2,1H3/t22-/m1/s1
InChIKeyMCIJGXBZQIAJGY-JOCHJYFZSA-N
XLogP3.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one (CID 95811862) is (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one is CCCN1CCN(CC2CC2)[C@H](Cc2ccccc2-c2cccnc2)C1=O.
What is the InChIKey of (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The InChIKey is MCIJGXBZQIAJGY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-12-25-13-14-26(17-18-9-10-18)22(23(25)27)15-19-6-3-4-8-21(19)20-7-5-11-24-16-20/h3-8,11,16,18,22H,2,9-10,12-15,17H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one?
(3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one has a molecular weight of 363.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 95811862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).