1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide

C12H20N4O — CID 175700216

IUPAC1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(CCCN2CCNCC2)c1
InChIInChI=1S/C12H20N4O/c13-12(17)11-2-7-16(10-11)6-1-5-15-8-3-14-4-9-15/h2,7,10,14H,1,3-6,8-9H2,(H2,13,17)
InChIKeyPCOUNKTVDMXPFD-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.12
Rot. Bonds5

About 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide

1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide (PubChem CID 175700216) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide
PubChem CID175700216
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(CCCN2CCNCC2)c1
InChIInChI=1S/C12H20N4O/c13-12(17)11-2-7-16(10-11)6-1-5-15-8-3-14-4-9-15/h2,7,10,14H,1,3-6,8-9H2,(H2,13,17)
InChIKeyPCOUNKTVDMXPFD-UHFFFAOYSA-N
XLogP-0.12
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine
CID 166501288
4-(2-piperazin-1-ylethyl)benzamide
CID 84696960
10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
CID 25008399
3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide
CID 82810071
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
1-(5-pyrrol-1-ylpentyl)-1,4,8,11-tetrazacyclotetradecane
CID 100948987
4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361
1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride
CID 162335674
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
4-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 24701378
4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
CID 63265639

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide (CID 175700216) is 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide is NC(=O)c1ccn(CCCN2CCNCC2)c1.
What is the InChIKey of 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide?
The InChIKey is PCOUNKTVDMXPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-12(17)11-2-7-16(10-11)6-1-5-15-8-3-14-4-9-15/h2,7,10,14H,1,3-6,8-9H2,(H2,13,17).
What are the key properties of 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide?
1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide is sourced from PubChem (CID 175700216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).