N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide

C22H37N5O — CID 109490808

IUPACN',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCc2ccnc(N3CCOC(C)C3)c2)C1
InChIInChI=1S/C22H37N5O/c1-5-8-22(3)9-6-11-27(17-22)21(23-4)25-15-19-7-10-24-20(14-19)26-12-13-28-18(2)16-26/h7,10,14,18H,5-6,8-9,11-13,15-17H2,1-4H3,(H,23,25)
InChIKeyCZKVSRGYCBMCRN-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.28
Rot. Bonds5

About N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide

N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide (PubChem CID 109490808) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide
PubChem CID109490808
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC NameN',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCc2ccnc(N3CCOC(C)C3)c2)C1
InChIInChI=1S/C22H37N5O/c1-5-8-22(3)9-6-11-27(17-22)21(23-4)25-15-19-7-10-24-20(14-19)26-12-13-28-18(2)16-26/h7,10,14,18H,5-6,8-9,11-13,15-17H2,1-4H3,(H,23,25)
InChIKeyCZKVSRGYCBMCRN-UHFFFAOYSA-N
XLogP3.28
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-cyclopentyl-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964017
N-ethyl-N'-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111963911
2-methyl-1-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-octan-2-ylguanidine
CID 111964453
1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine
CID 109498766
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744843
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964479
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490441
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964443
N',2,2,3,3-pentamethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]azetidine-1-carboximidamide
CID 109453414
N'-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733011
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111964478
N-methyl-3-[[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109490146

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide (CID 109490808) is N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCc2ccnc(N3CCOC(C)C3)c2)C1.
What is the InChIKey of N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide?
The InChIKey is CZKVSRGYCBMCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-5-8-22(3)9-6-11-27(17-22)21(23-4)25-15-19-7-10-24-20(14-19)26-12-13-28-18(2)16-26/h7,10,14,18H,5-6,8-9,11-13,15-17H2,1-4H3,(H,23,25).
What are the key properties of N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide?
N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide has a molecular weight of 387.57 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).