1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea

C20H29N3O4 — CID 118783157

IUPAC1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCCCC1=O)Nc1ccc(OCC2CCCCO2)cc1
InChIInChI=1S/C20H29N3O4/c24-19-6-1-3-12-23(19)13-11-21-20(25)22-16-7-9-17(10-8-16)27-15-18-5-2-4-14-26-18/h7-10,18H,1-6,11-15H2,(H2,21,22,25)
InChIKeyQLBKTCXLLJHIDV-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.77
Rot. Bonds7

About 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea

1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea (PubChem CID 118783157) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
PubChem CID118783157
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCCCC1=O)Nc1ccc(OCC2CCCCO2)cc1
InChIInChI=1S/C20H29N3O4/c24-19-6-1-3-12-23(19)13-11-21-20(25)22-16-7-9-17(10-8-16)27-15-18-5-2-4-14-26-18/h7-10,18H,1-6,11-15H2,(H2,21,22,25)
InChIKeyQLBKTCXLLJHIDV-UHFFFAOYSA-N
XLogP2.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131903978
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 125177372
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 97438213
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]urea
CID 97438214
1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 75463967
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97444546
1-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-3-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 98723345
1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97435833
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
N-[4-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131919419

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea (CID 118783157) is 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea is O=C(NCCN1CCCCC1=O)Nc1ccc(OCC2CCCCO2)cc1.
What is the InChIKey of 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The InChIKey is QLBKTCXLLJHIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c24-19-6-1-3-12-23(19)13-11-21-20(25)22-16-7-9-17(10-8-16)27-15-18-5-2-4-14-26-18/h7-10,18H,1-6,11-15H2,(H2,21,22,25).
What are the key properties of 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea has a molecular weight of 375.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 118783157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).