1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide

C21H30N4O2 — CID 143503064

IUPAC1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CCCN2CCN(CC3CCCO3)CC2)c2ccccc12
InChIInChI=1S/C21H30N4O2/c22-21(26)19-16-25(20-7-2-1-6-18(19)20)9-4-8-23-10-12-24(13-11-23)15-17-5-3-14-27-17/h1-2,6-7,16-17H,3-5,8-15H2,(H2,22,26)
InChIKeyDMAPIWQJIPPVOL-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.93
Rot. Bonds7

About 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide

1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide (PubChem CID 143503064) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide
PubChem CID143503064
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CCCN2CCN(CC3CCCO3)CC2)c2ccccc12
InChIInChI=1S/C21H30N4O2/c22-21(26)19-16-25(20-7-2-1-6-18(19)20)9-4-8-23-10-12-24(13-11-23)15-17-5-3-14-27-17/h1-2,6-7,16-17H,3-5,8-15H2,(H2,22,26)
InChIKeyDMAPIWQJIPPVOL-UHFFFAOYSA-N
XLogP1.93
TPSA63.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide (CID 143503064) is 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide is NC(=O)c1cn(CCCN2CCN(CC3CCCO3)CC2)c2ccccc12.
What is the InChIKey of 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide?
The InChIKey is DMAPIWQJIPPVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c22-21(26)19-16-25(20-7-2-1-6-18(19)20)9-4-8-23-10-12-24(13-11-23)15-17-5-3-14-27-17/h1-2,6-7,16-17H,3-5,8-15H2,(H2,22,26).
What are the key properties of 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide?
1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 143503064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).