1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea

C19H26N4O2 — CID 95198921

IUPAC1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCCNC(=O)NC[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C19H26N4O2/c1-2-20-19(25)21-11-14-6-5-9-23(12-14)13-16-10-15-7-3-4-8-17(15)22-18(16)24/h3-4,7-8,10,14H,2,5-6,9,11-13H2,1H3,(H,22,24)(H2,20,21,25)/t14-/m1/s1
InChIKeyRBKWCISLNZIWBX-CQSZACIVSA-N
MW342.44 g/mol
LogP2.06
Rot. Bonds5

About 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea

1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea (PubChem CID 95198921) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
PubChem CID95198921
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCCNC(=O)NC[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C19H26N4O2/c1-2-20-19(25)21-11-14-6-5-9-23(12-14)13-16-10-15-7-3-4-8-17(15)22-18(16)24/h3-4,7-8,10,14H,2,5-6,9,11-13H2,1H3,(H,22,24)(H2,20,21,25)/t14-/m1/s1
InChIKeyRBKWCISLNZIWBX-CQSZACIVSA-N
XLogP2.06
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
CID 56739137
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056
N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129324681
3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95502220
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
N-[2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 56705307
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea (CID 95198921) is 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea is CCNC(=O)NC[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea?
The InChIKey is RBKWCISLNZIWBX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-20-19(25)21-11-14-6-5-9-23(12-14)13-16-10-15-7-3-4-8-17(15)22-18(16)24/h3-4,7-8,10,14H,2,5-6,9,11-13H2,1H3,(H,22,24)(H2,20,21,25)/t14-/m1/s1.
What are the key properties of 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea?
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 95198921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).