N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide

C13H26N4O — CID 55150802

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2CCNC2)CC1
InChIInChI=1S/C13H26N4O/c1-16-7-9-17(10-8-16)6-2-4-15-13(18)12-3-5-14-11-12/h12,14H,2-11H2,1H3,(H,15,18)
InChIKeyZFSBDVGKJIERJJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.65
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide

N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 55150802) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID55150802
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2CCNC2)CC1
InChIInChI=1S/C13H26N4O/c1-16-7-9-17(10-8-16)6-2-4-15-13(18)12-3-5-14-11-12/h12,14H,2-11H2,1H3,(H,15,18)
InChIKeyZFSBDVGKJIERJJ-UHFFFAOYSA-N
XLogP-0.65
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 119852387
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide (CID 55150802) is N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide is CN1CCN(CCCNC(=O)C2CCNC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is ZFSBDVGKJIERJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-16-7-9-17(10-8-16)6-2-4-15-13(18)12-3-5-14-11-12/h12,14H,2-11H2,1H3,(H,15,18).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 254.38 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55150802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).