N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide

C15H26N4O — CID 110017734

IUPACN'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C15H26N4O/c1-11-4-6-18(7-5-11)15(16)17-9-12-8-14(20)19(10-12)13-2-3-13/h11-13H,2-10H2,1H3,(H2,16,17)
InChIKeyBCRRVHBLMXVNDG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.04
Rot. Bonds3

About N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide

N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110017734) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110017734
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C15H26N4O/c1-11-4-6-18(7-5-11)15(16)17-9-12-8-14(20)19(10-12)13-2-3-13/h11-13H,2-10H2,1H3,(H2,16,17)
InChIKeyBCRRVHBLMXVNDG-UHFFFAOYSA-N
XLogP1.04
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 122101547
4-(4-chlorophenyl)-N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110018465
1-tert-butyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110018474
1-butan-2-yl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110017728
1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110018397
N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide
CID 122125923
N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide
CID 122125931
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
CID 117005664

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide (CID 110017734) is N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is BCRRVHBLMXVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-4-6-18(7-5-11)15(16)17-9-12-8-14(20)19(10-12)13-2-3-13/h11-13H,2-10H2,1H3,(H2,16,17).
What are the key properties of N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide?
N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110017734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).