4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide

C20H26ClN3O4 — CID 18146077

IUPAC4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O4/c21-17-5-3-15(4-6-17)19(26)22-8-7-18(25)24-9-1-2-16(14-24)20(27)23-10-12-28-13-11-23/h3-6,16H,1-2,7-14H2,(H,22,26)
InChIKeyGZWARGSBOBGMHQ-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.56
Rot. Bonds5

About 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide

4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 18146077) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID18146077
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Name4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O4/c21-17-5-3-15(4-6-17)19(26)22-8-7-18(25)24-9-1-2-16(14-24)20(27)23-10-12-28-13-11-23/h3-6,16H,1-2,7-14H2,(H,22,26)
InChIKeyGZWARGSBOBGMHQ-UHFFFAOYSA-N
XLogP1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide (CID 18146077) is 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is GZWARGSBOBGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4/c21-17-5-3-15(4-6-17)19(26)22-8-7-18(25)24-9-1-2-16(14-24)20(27)23-10-12-28-13-11-23/h3-6,16H,1-2,7-14H2,(H,22,26).
What are the key properties of 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide?
4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 407.90 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 18146077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).