3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide

C23H34N4O3S — CID 59600658

IUPAC3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide
SMILESCc1cc(C(N)=O)c2[nH]cc(C3CCN(S(=O)(=O)CCCNC4CCCC4)CC3)c2c1
InChIInChI=1S/C23H34N4O3S/c1-16-13-19-21(15-26-22(19)20(14-16)23(24)28)17-7-10-27(11-8-17)31(29,30)12-4-9-25-18-5-2-3-6-18/h13-15,17-18,25-26H,2-12H2,1H3,(H2,24,28)
InChIKeyBGCIKGGGJIGCPL-UHFFFAOYSA-N
MW446.62 g/mol
LogP3.01
Rot. Bonds8

About 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide

3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide (PubChem CID 59600658) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide
PubChem CID59600658
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC Name3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide
SMILESCc1cc(C(N)=O)c2[nH]cc(C3CCN(S(=O)(=O)CCCNC4CCCC4)CC3)c2c1
InChIInChI=1S/C23H34N4O3S/c1-16-13-19-21(15-26-22(19)20(14-16)23(24)28)17-7-10-27(11-8-17)31(29,30)12-4-9-25-18-5-2-3-6-18/h13-15,17-18,25-26H,2-12H2,1H3,(H2,24,28)
InChIKeyBGCIKGGGJIGCPL-UHFFFAOYSA-N
XLogP3.01
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide (CID 59600658) is 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide is Cc1cc(C(N)=O)c2[nH]cc(C3CCN(S(=O)(=O)CCCNC4CCCC4)CC3)c2c1.
What is the InChIKey of 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide?
The InChIKey is BGCIKGGGJIGCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-16-13-19-21(15-26-22(19)20(14-16)23(24)28)17-7-10-27(11-8-17)31(29,30)12-4-9-25-18-5-2-3-6-18/h13-15,17-18,25-26H,2-12H2,1H3,(H2,24,28).
What are the key properties of 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide?
3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide has a molecular weight of 446.62 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(cyclopentylamino)propylsulfonyl]piperidin-4-yl]-5-methyl-1H-indole-7-carboxamide is sourced from PubChem (CID 59600658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).