2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide

C30H39N5O — CID 175405707

IUPAC2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
SMILESCCCCC(C)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1)c1ccccc1
InChIInChI=1S/C30H39N5O/c1-3-4-9-24(2)35(27-11-6-5-7-12-27)30(36)23-34-18-16-33(17-19-34)15-8-10-26-22-32-29-14-13-25(21-31)20-28(26)29/h5-7,11-14,20,22,24,32H,3-4,8-10,15-19,23H2,1-2H3
InChIKeyDMYCZDLBNVHNAR-UHFFFAOYSA-N
MW485.68 g/mol
LogP5.20
Rot. Bonds11

About 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide

2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide (PubChem CID 175405707) has the molecular formula C30H39N5O and a molecular weight of 485.68 g/mol. Its IUPAC name is 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
PubChem CID175405707
Molecular FormulaC30H39N5O
Molecular Weight485.68 g/mol
Exact Mass485.32
IUPAC Name2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
SMILESCCCCC(C)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1)c1ccccc1
InChIInChI=1S/C30H39N5O/c1-3-4-9-24(2)35(27-11-6-5-7-12-27)30(36)23-34-18-16-33(17-19-34)15-8-10-26-22-32-29-14-13-25(21-31)20-28(26)29/h5-7,11-14,20,22,24,32H,3-4,8-10,15-19,23H2,1-2H3
InChIKeyDMYCZDLBNVHNAR-UHFFFAOYSA-N
XLogP5.20
TPSA66.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)-N-phenylacetamide
CID 175406057
2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
CID 175405742
3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
CID 175406463
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
ethyl 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 90646796
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936443
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 90646598
3-[4-[4-(2,4-dihydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 57229461
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide?
The IUPAC name of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide (CID 175405707) is 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide is CCCCC(C)N(C(=O)CN1CCN(CCCc2c[nH]c3ccc(C#N)cc23)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide?
The InChIKey is DMYCZDLBNVHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O/c1-3-4-9-24(2)35(27-11-6-5-7-12-27)30(36)23-34-18-16-33(17-19-34)15-8-10-26-22-32-29-14-13-25(21-31)20-28(26)29/h5-7,11-14,20,22,24,32H,3-4,8-10,15-19,23H2,1-2H3.
What are the key properties of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide?
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide has a molecular weight of 485.68 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide is sourced from PubChem (CID 175405707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).