ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate

C23H29N3O3 — CID 24551621

IUPACethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-3-29-23(28)24-20-12-9-11-18(16-20)22(27)25(2)17-19-10-5-6-13-21(19)26-14-7-4-8-15-26/h5-6,9-13,16H,3-4,7-8,14-15,17H2,1-2H3,(H,24,28)
InChIKeyLRNUBHKVDXHGJL-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.52
Rot. Bonds6

About ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate

ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate (PubChem CID 24551621) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
PubChem CID24551621
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-3-29-23(28)24-20-12-9-11-18(16-20)22(27)25(2)17-19-10-5-6-13-21(19)26-14-7-4-8-15-26/h5-6,9-13,16H,3-4,7-8,14-15,17H2,1-2H3,(H,24,28)
InChIKeyLRNUBHKVDXHGJL-UHFFFAOYSA-N
XLogP4.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051980
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 9069273
3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
4-(methanesulfonamido)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35437808
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551665
tert-butyl N-[4-[2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-2-oxoethyl]phenyl]carbamate
CID 46556916

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate (CID 24551621) is ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1.
What is the InChIKey of ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate?
The InChIKey is LRNUBHKVDXHGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-23(28)24-20-12-9-11-18(16-20)22(27)25(2)17-19-10-5-6-13-21(19)26-14-7-4-8-15-26/h5-6,9-13,16H,3-4,7-8,14-15,17H2,1-2H3,(H,24,28).
What are the key properties of ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate?
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 24551621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).