1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea

C22H34N4O3 — CID 95678855

IUPAC1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea
SMILESC[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCN3CCCCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C22H34N4O3/c1-17-15-26(16-18(2)29-17)21(27)20-8-6-19(7-9-20)14-24-22(28)23-10-13-25-11-4-3-5-12-25/h6-9,17-18H,3-5,10-16H2,1-2H3,(H2,23,24,28)/t17-,18+
InChIKeyWYYAFKUQFHKHMB-HDICACEKSA-N
MW402.54 g/mol
LogP2.22
Rot. Bonds6

About 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea

1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea (PubChem CID 95678855) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea
PubChem CID95678855
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea
SMILESC[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCN3CCCCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C22H34N4O3/c1-17-15-26(16-18(2)29-17)21(27)20-8-6-19(7-9-20)14-24-22(28)23-10-13-25-11-4-3-5-12-25/h6-9,17-18H,3-5,10-16H2,1-2H3,(H2,23,24,28)/t17-,18+
InChIKeyWYYAFKUQFHKHMB-HDICACEKSA-N
XLogP2.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea with MolForge

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Related Compounds

1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[4-(4-methylpiperazin-1-yl)butyl]urea
CID 56527331
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 47985084
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738824
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305558
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
1-(1,3-benzothiazol-2-ylmethyl)-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]urea
CID 166182090
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 102555387
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119752614

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea (CID 95678855) is 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea is C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCN3CCCCC3)cc2)C[C@H](C)O1.
What is the InChIKey of 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is WYYAFKUQFHKHMB-HDICACEKSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-17-15-26(16-18(2)29-17)21(27)20-8-6-19(7-9-20)14-24-22(28)23-10-13-25-11-4-3-5-12-25/h6-9,17-18H,3-5,10-16H2,1-2H3,(H2,23,24,28)/t17-,18+.
What are the key properties of 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea?
1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 402.54 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 95678855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).