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

C16H32N4O — CID 63141437

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCN2CCN(C)CC2)CCNC1
InChIInChI=1S/C16H32N4O/c1-3-5-16(6-8-17-14-16)15(21)18-7-4-9-20-12-10-19(2)11-13-20/h17H,3-14H2,1-2H3,(H,18,21)
InChIKeySFJVJASRVQHQGE-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.52
Rot. Bonds7

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

N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141437) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63141437
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCN2CCN(C)CC2)CCNC1
InChIInChI=1S/C16H32N4O/c1-3-5-16(6-8-17-14-16)15(21)18-7-4-9-20-12-10-19(2)11-13-20/h17H,3-14H2,1-2H3,(H,18,21)
InChIKeySFJVJASRVQHQGE-UHFFFAOYSA-N
XLogP0.52
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.52
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

3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride
CID 119448203
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
CID 55177593
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55176192
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
N-(2-cyclopentyloxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 55261464
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide (CID 63141437) is N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCCCN2CCN(C)CC2)CCNC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is SFJVJASRVQHQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-5-16(6-8-17-14-16)15(21)18-7-4-9-20-12-10-19(2)11-13-20/h17H,3-14H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.52, 7 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]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).