(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride

C17H22Cl2N4O4 — CID 154913644

IUPAC(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C1CO[C@H](C(=O)NCC(=O)N2CCNCC2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C17H21ClN4O4.ClH/c18-12-4-2-1-3-11(12)15-16(26-10-13(23)21-15)17(25)20-9-14(24)22-7-5-19-6-8-22;/h1-4,15-16,19H,5-10H2,(H,20,25)(H,21,23);1H/t15-,16+;/m1./s1
InChIKeyPPDMINQGAVPSDY-RCPFAERMSA-N
MW417.29 g/mol
LogP-0.13
Rot. Bonds4

About (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride

(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 154913644) has the molecular formula C17H22Cl2N4O4 and a molecular weight of 417.29 g/mol. Its IUPAC name is (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
PubChem CID154913644
Molecular FormulaC17H22Cl2N4O4
Molecular Weight417.29 g/mol
Exact Mass416.10
IUPAC Name(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C1CO[C@H](C(=O)NCC(=O)N2CCNCC2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C17H21ClN4O4.ClH/c18-12-4-2-1-3-11(12)15-16(26-10-13(23)21-15)17(25)20-9-14(24)22-7-5-19-6-8-22;/h1-4,15-16,19H,5-10H2,(H,20,25)(H,21,23);1H/t15-,16+;/m1./s1
InChIKeyPPDMINQGAVPSDY-RCPFAERMSA-N
XLogP-0.13
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
CID 157017806
(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
CID 134699286
(5R,6S)-5-(2-chlorophenyl)-6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-3-one
CID 134711176
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 134696941
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 156584032
(2S,3R)-3-(2-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 157011885
(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134699289
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide;formic acid
CID 163341553
(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
CID 134701550
(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134712566
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride (CID 154913644) is (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride is Cl.O=C1CO[C@H](C(=O)NCC(=O)N2CCNCC2)[C@@H](c2ccccc2Cl)N1.
What is the InChIKey of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is PPDMINQGAVPSDY-RCPFAERMSA-N. The full InChI is InChI=1S/C17H21ClN4O4.ClH/c18-12-4-2-1-3-11(12)15-16(26-10-13(23)21-15)17(25)20-9-14(24)22-7-5-19-6-8-22;/h1-4,15-16,19H,5-10H2,(H,20,25)(H,21,23);1H/t15-,16+;/m1./s1.
What are the key properties of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride?
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 417.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154913644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).