(4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone

C16H20ClN3O3 — CID 34680232

IUPAC(4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-14-3-1-13(2-4-14)15(21)18-5-7-19(8-6-18)16(22)20-9-11-23-12-10-20/h1-4H,5-12H2
InChIKeyDNTQFSARMMKYRS-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.55
Rot. Bonds1

About (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 34680232) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID34680232
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name(4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-14-3-1-13(2-4-14)15(21)18-5-7-19(8-6-18)16(22)20-9-11-23-12-10-20/h1-4H,5-12H2
InChIKeyDNTQFSARMMKYRS-UHFFFAOYSA-N
XLogP1.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-(2-Chlorobenzoyl)-morpholine
CID 225451
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
4-chloro-N-[(2,6-dimethyl-4-morpholinyl)carbonothioyl]benzamide
CID 2908676
Ro 12-8095
CID 126278
3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 750384
4-chloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 2977748
(4-Methylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 847672
4-(3,4-Dichlorobenzoyl)morpholine
CID 346717
N-(4-chlorobenzoyl)piperidine-1-carboxamide
CID 977286

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone (CID 34680232) is (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DNTQFSARMMKYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-14-3-1-13(2-4-14)15(21)18-5-7-19(8-6-18)16(22)20-9-11-23-12-10-20/h1-4H,5-12H2.
What are the key properties of (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 337.81 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 34680232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).