1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea

C24H39ClN4O2 — CID 46493944

IUPAC1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
SMILESCCC(CC)C(CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C24H39ClN4O2/c1-3-20(4-2)23(29-13-15-31-16-14-29)17-26-24(30)27-22-9-11-28(12-10-22)18-19-5-7-21(25)8-6-19/h5-8,20,22-23H,3-4,9-18H2,1-2H3,(H2,26,27,30)
InChIKeyDARDFQKDEXQXBP-UHFFFAOYSA-N
MW451.06 g/mol
LogP3.74
Rot. Bonds9

About 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea (PubChem CID 46493944) has the molecular formula C24H39ClN4O2 and a molecular weight of 451.06 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
PubChem CID46493944
Molecular FormulaC24H39ClN4O2
Molecular Weight451.06 g/mol
Exact Mass450.28
IUPAC Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
SMILESCCC(CC)C(CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C24H39ClN4O2/c1-3-20(4-2)23(29-13-15-31-16-14-29)17-26-24(30)27-22-9-11-28(12-10-22)18-19-5-7-21(25)8-6-19/h5-8,20,22-23H,3-4,9-18H2,1-2H3,(H2,26,27,30)
InChIKeyDARDFQKDEXQXBP-UHFFFAOYSA-N
XLogP3.74
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.06
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea with MolForge

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Related Compounds

3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
CID 75373599
2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-hydroxypropyl)urea
CID 110892261
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 136520756
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 55629625
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 60524780
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378
4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea (CID 46493944) is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea is CCC(CC)C(CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOCC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
The InChIKey is DARDFQKDEXQXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39ClN4O2/c1-3-20(4-2)23(29-13-15-31-16-14-29)17-26-24(30)27-22-9-11-28(12-10-22)18-19-5-7-21(25)8-6-19/h5-8,20,22-23H,3-4,9-18H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea has a molecular weight of 451.06 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea is sourced from PubChem (CID 46493944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).