(3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one

C19H27N3O3 — CID 95207573

IUPAC(3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one
SMILESCc1ccc(NC2(C(=O)N3CCNC(=O)[C@H]3CCO)CCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-4-6-15(7-5-14)21-19(9-2-3-10-19)18(25)22-12-11-20-17(24)16(22)8-13-23/h4-7,16,21,23H,2-3,8-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyWLTLROMZABUJTE-MRXNPFEDSA-N
MW345.44 g/mol
LogP1.43
Rot. Bonds5

About (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one

(3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one (PubChem CID 95207573) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one
PubChem CID95207573
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one
SMILESCc1ccc(NC2(C(=O)N3CCNC(=O)[C@H]3CCO)CCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-4-6-15(7-5-14)21-19(9-2-3-10-19)18(25)22-12-11-20-17(24)16(22)8-13-23/h4-7,16,21,23H,2-3,8-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyWLTLROMZABUJTE-MRXNPFEDSA-N
XLogP1.43
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one?
The IUPAC name of (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one (CID 95207573) is (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one?
The canonical SMILES for (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one is Cc1ccc(NC2(C(=O)N3CCNC(=O)[C@H]3CCO)CCCC2)cc1.
What is the InChIKey of (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one?
The InChIKey is WLTLROMZABUJTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-4-6-15(7-5-14)21-19(9-2-3-10-19)18(25)22-12-11-20-17(24)16(22)8-13-23/h4-7,16,21,23H,2-3,8-13H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one?
(3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one is sourced from PubChem (CID 95207573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).