(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide

C19H24N4O2S — CID 137098613

IUPAC(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)NC2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O2S/c1-13-12-17(24)22-19(20-13)26-14(2)18(25)21-15-8-10-23(11-9-15)16-6-4-3-5-7-16/h3-7,12,14-15H,8-11H2,1-2H3,(H,21,25)(H,20,22,24)/t14-/m1/s1
InChIKeyUASVAHAJJDNOMZ-CQSZACIVSA-N
MW372.49 g/mol
LogP2.34
Rot. Bonds5

About (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide

(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide (PubChem CID 137098613) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
PubChem CID137098613
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)NC2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O2S/c1-13-12-17(24)22-19(20-13)26-14(2)18(25)21-15-8-10-23(11-9-15)16-6-4-3-5-7-16/h3-7,12,14-15H,8-11H2,1-2H3,(H,21,25)(H,20,22,24)/t14-/m1/s1
InChIKeyUASVAHAJJDNOMZ-CQSZACIVSA-N
XLogP2.34
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide (CID 137098613) is (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide is Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NC2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide?
The InChIKey is UASVAHAJJDNOMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-12-17(24)22-19(20-13)26-14(2)18(25)21-15-8-10-23(11-9-15)16-6-4-3-5-7-16/h3-7,12,14-15H,8-11H2,1-2H3,(H,21,25)(H,20,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide?
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide is sourced from PubChem (CID 137098613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).