1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

C23H29N5O4 — CID 55743484

IUPAC1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1N1CCCCC1=O
InChIInChI=1S/C23H29N5O4/c1-31-20-6-5-18(15-19(20)28-9-3-2-4-22(28)29)26-23(30)25-16-17-7-8-24-21(14-17)27-10-12-32-13-11-27/h5-8,14-15H,2-4,9-13,16H2,1H3,(H2,25,26,30)
InChIKeyMEISNLOURLONEH-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.77
Rot. Bonds6

About 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 55743484) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID55743484
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1N1CCCCC1=O
InChIInChI=1S/C23H29N5O4/c1-31-20-6-5-18(15-19(20)28-9-3-2-4-22(28)29)26-23(30)25-16-17-7-8-24-21(14-17)27-10-12-32-13-11-27/h5-8,14-15H,2-4,9-13,16H2,1H3,(H2,25,26,30)
InChIKeyMEISNLOURLONEH-UHFFFAOYSA-N
XLogP2.77
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55820823
N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745131
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 55743390
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86873596
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94783824
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935216
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (CID 55743484) is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is COc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1N1CCCCC1=O.
What is the InChIKey of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is MEISNLOURLONEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-31-20-6-5-18(15-19(20)28-9-3-2-4-22(28)29)26-23(30)25-16-17-7-8-24-21(14-17)27-10-12-32-13-11-27/h5-8,14-15H,2-4,9-13,16H2,1H3,(H2,25,26,30).
What are the key properties of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 439.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 55743484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).