1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea

C26H34N4O — CID 57267477

IUPAC1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
SMILESCCCN1CCC(c2c[nH]c3ccc(NC(=O)NCCCc4ccccc4)cc23)CC1
InChIInChI=1S/C26H34N4O/c1-2-15-30-16-12-21(13-17-30)24-19-28-25-11-10-22(18-23(24)25)29-26(31)27-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,18-19,21,28H,2,6,9,12-17H2,1H3,(H2,27,29,31)
InChIKeyIIMUCXKGKYTWTQ-UHFFFAOYSA-N
MW418.59 g/mol
LogP5.51
Rot. Bonds8

About 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea

1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea (PubChem CID 57267477) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
PubChem CID57267477
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
SMILESCCCN1CCC(c2c[nH]c3ccc(NC(=O)NCCCc4ccccc4)cc23)CC1
InChIInChI=1S/C26H34N4O/c1-2-15-30-16-12-21(13-17-30)24-19-28-25-11-10-22(18-23(24)25)29-26(31)27-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,18-19,21,28H,2,6,9,12-17H2,1H3,(H2,27,29,31)
InChIKeyIIMUCXKGKYTWTQ-UHFFFAOYSA-N
XLogP5.51
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea with MolForge

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Related Compounds

1-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1H-indol-5-yl]-3-(3-phenylpropyl)urea
CID 67676187
1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
CID 54233001
N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
CID 57299870
1-[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-3-pent-3-enylurea;1-but-2-enyl-3-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 160688315
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 142627288
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea?
The IUPAC name of 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea (CID 57267477) is 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea is CCCN1CCC(c2c[nH]c3ccc(NC(=O)NCCCc4ccccc4)cc23)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea?
The InChIKey is IIMUCXKGKYTWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-2-15-30-16-12-21(13-17-30)24-19-28-25-11-10-22(18-23(24)25)29-26(31)27-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,18-19,21,28H,2,6,9,12-17H2,1H3,(H2,27,29,31).
What are the key properties of 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea?
1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea has a molecular weight of 418.59 g/mol, XLogP of 5.51, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea is sourced from PubChem (CID 57267477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).