N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide

C16H30N4O — CID 111209916

IUPACN-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCN1CCCC1=O)N1CCC(C)CC1
InChIInChI=1S/C16H30N4O/c1-3-17-16(20-12-7-14(2)8-13-20)18-9-5-11-19-10-4-6-15(19)21/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyLLINMVSANZDKDS-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.70
Rot. Bonds5

About N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide

N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111209916) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
PubChem CID111209916
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCN1CCCC1=O)N1CCC(C)CC1
InChIInChI=1S/C16H30N4O/c1-3-17-16(20-12-7-14(2)8-13-20)18-9-5-11-19-10-4-6-15(19)21/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyLLINMVSANZDKDS-UHFFFAOYSA-N
XLogP1.70
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205126
N-ethyl-4-methyl-N'-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111209796
N-ethyl-4-methyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210904
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527468
N-ethyl-N'-[3-(2-oxoazepan-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111208028
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086
1-ethyl-2-[(4-methylcyclohexyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146447
methyl 5-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]pentanoate
CID 111209842
tert-butyl N-[3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]carbamate
CID 111212217
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
N-ethyl-4-methyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111212028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide (CID 111209916) is N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide is CCN/C(=N\CCCN1CCCC1=O)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is LLINMVSANZDKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-3-17-16(20-12-7-14(2)8-13-20)18-9-5-11-19-10-4-6-15(19)21/h14H,3-13H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 294.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111209916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).