1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea

C23H31N3O3 — CID 112829527

IUPAC1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1N1CCCCC1=O
InChIInChI=1S/C23H31N3O3/c1-29-20-6-5-18(13-19(20)26-7-3-2-4-21(26)27)24-23(28)25-22-16-9-14-8-15(11-16)12-17(22)10-14/h5-6,13-17,22H,2-4,7-12H2,1H3,(H2,24,25,28)
InChIKeyTVGQXEDBYBMJDH-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.16
Rot. Bonds4

About 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea

1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea (PubChem CID 112829527) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea
PubChem CID112829527
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1N1CCCCC1=O
InChIInChI=1S/C23H31N3O3/c1-29-20-6-5-18(13-19(20)26-7-3-2-4-21(26)27)24-23(28)25-22-16-9-14-8-15(11-16)12-17(22)10-14/h5-6,13-17,22H,2-4,7-12H2,1H3,(H2,24,25,28)
InChIKeyTVGQXEDBYBMJDH-UHFFFAOYSA-N
XLogP4.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 71896073
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 119724562
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119724563
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea (CID 112829527) is 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea is COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1N1CCCCC1=O.
What is the InChIKey of 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea?
The InChIKey is TVGQXEDBYBMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-29-20-6-5-18(13-19(20)26-7-3-2-4-21(26)27)24-23(28)25-22-16-9-14-8-15(11-16)12-17(22)10-14/h5-6,13-17,22H,2-4,7-12H2,1H3,(H2,24,25,28).
What are the key properties of 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea?
1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea has a molecular weight of 397.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 112829527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).