[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea

C15H20N4O — CID 154485178

IUPAC[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea
SMILESNC(=O)Nc1cc2ccc(CNC3CCCC3)cc2[nH]1
InChIInChI=1S/C15H20N4O/c16-15(20)19-14-8-11-6-5-10(7-13(11)18-14)9-17-12-3-1-2-4-12/h5-8,12,17-18H,1-4,9H2,(H3,16,19,20)
InChIKeySFTSKULGMFENAQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds4

About [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea

[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea (PubChem CID 154485178) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea.

Molecular Properties

Compound Name[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea
PubChem CID154485178
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea
SMILESNC(=O)Nc1cc2ccc(CNC3CCCC3)cc2[nH]1
InChIInChI=1S/C15H20N4O/c16-15(20)19-14-8-11-6-5-10(7-13(11)18-14)9-17-12-3-1-2-4-12/h5-8,12,17-18H,1-4,9H2,(H3,16,19,20)
InChIKeySFTSKULGMFENAQ-UHFFFAOYSA-N
XLogP2.69
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea?
The IUPAC name of [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea (CID 154485178) is [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea.
What is the SMILES notation for [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea?
The canonical SMILES for [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea is NC(=O)Nc1cc2ccc(CNC3CCCC3)cc2[nH]1.
What is the InChIKey of [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea?
The InChIKey is SFTSKULGMFENAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-15(20)19-14-8-11-6-5-10(7-13(11)18-14)9-17-12-3-1-2-4-12/h5-8,12,17-18H,1-4,9H2,(H3,16,19,20).
What are the key properties of [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea?
[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea has a molecular weight of 272.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea is sourced from PubChem (CID 154485178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).