1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea

C20H29N3O2 — CID 166532520

IUPAC1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1c([C@H](C)NC(=O)NC2CCN(C(C)C)CC2)oc2ccccc12
InChIInChI=1S/C20H29N3O2/c1-13(2)23-11-9-16(10-12-23)22-20(24)21-15(4)19-14(3)17-7-5-6-8-18(17)25-19/h5-8,13,15-16H,9-12H2,1-4H3,(H2,21,22,24)/t15-/m0/s1
InChIKeyXYFNKFHFZIYFLL-HNNXBMFYSA-N
MW343.47 g/mol
LogP3.97
Rot. Bonds4

About 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea

1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 166532520) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID166532520
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1c([C@H](C)NC(=O)NC2CCN(C(C)C)CC2)oc2ccccc12
InChIInChI=1S/C20H29N3O2/c1-13(2)23-11-9-16(10-12-23)22-20(24)21-15(4)19-14(3)17-7-5-6-8-18(17)25-19/h5-8,13,15-16H,9-12H2,1-4H3,(H2,21,22,24)/t15-/m0/s1
InChIKeyXYFNKFHFZIYFLL-HNNXBMFYSA-N
XLogP3.97
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)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-(1-ethylpiperidin-4-yl)-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532114
1-[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 176854087
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532576
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532648
N-methyl-4-[1-(3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 166532094
N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide
CID 166532637
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 166532014
1-(3-methoxycyclobutyl)-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532954
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyloxan-4-yl)urea
CID 166533084
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 166532852
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 166532068
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea (CID 166532520) is 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea is Cc1c([C@H](C)NC(=O)NC2CCN(C(C)C)CC2)oc2ccccc12.
What is the InChIKey of 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is XYFNKFHFZIYFLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(2)23-11-9-16(10-12-23)22-20(24)21-15(4)19-14(3)17-7-5-6-8-18(17)25-19/h5-8,13,15-16H,9-12H2,1-4H3,(H2,21,22,24)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea?
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 343.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 166532520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).