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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Related Compounds

4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
2-fluoro-N-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 47018605
1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55517872
4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55518467
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 47059658
7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119700490
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
CID 26178024
3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503

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).