N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide

C28H36N4O2 — CID 57299870

IUPACN-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
SMILESCCCCCN1CCC(c2c[nH]c3ccc(NC(=O)N(C(=O)CC)c4ccccc4)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-3-5-9-16-31-17-14-21(15-18-31)25-20-29-26-13-12-22(19-24(25)26)30-28(34)32(27(33)4-2)23-10-7-6-8-11-23/h6-8,10-13,19-21,29H,3-5,9,14-18H2,1-2H3,(H,30,34)
InChIKeyIXKWUHZILMPFEM-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.51
Rot. Bonds8

About N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide

N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide (PubChem CID 57299870) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
PubChem CID57299870
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
SMILESCCCCCN1CCC(c2c[nH]c3ccc(NC(=O)N(C(=O)CC)c4ccccc4)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-3-5-9-16-31-17-14-21(15-18-31)25-20-29-26-13-12-22(19-24(25)26)30-28(34)32(27(33)4-2)23-10-7-6-8-11-23/h6-8,10-13,19-21,29H,3-5,9,14-18H2,1-2H3,(H,30,34)
InChIKeyIXKWUHZILMPFEM-UHFFFAOYSA-N
XLogP6.51
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537
1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
CID 54233001
1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 57267477
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174406878
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 142627288
N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide
CID 54404500
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
3-[3-[2-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-1-methyl-1-phenylurea
CID 22714401
3-[3-(1-ethyl-3,4-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-1-propan-2-ylurea
CID 57110834
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide?
The IUPAC name of N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide (CID 57299870) is N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide?
The canonical SMILES for N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide is CCCCCN1CCC(c2c[nH]c3ccc(NC(=O)N(C(=O)CC)c4ccccc4)cc23)CC1.
What is the InChIKey of N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide?
The InChIKey is IXKWUHZILMPFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-3-5-9-16-31-17-14-21(15-18-31)25-20-29-26-13-12-22(19-24(25)26)30-28(34)32(27(33)4-2)23-10-7-6-8-11-23/h6-8,10-13,19-21,29H,3-5,9,14-18H2,1-2H3,(H,30,34).
What are the key properties of N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide?
N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide has a molecular weight of 460.62 g/mol, XLogP of 6.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide is sourced from PubChem (CID 57299870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).