N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide

C19H31N5O — CID 111219663

IUPACN'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCCOCC1CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H31N5O/c1-2-20-19(22-10-5-15-25-16-17-7-8-17)24-13-11-23(12-14-24)18-6-3-4-9-21-18/h3-4,6,9,17H,2,5,7-8,10-16H2,1H3,(H,20,22)
InChIKeyTZYKQDNDRYXLAW-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.99
Rot. Bonds8

About N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide

N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111219663) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111219663
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCCOCC1CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H31N5O/c1-2-20-19(22-10-5-15-25-16-17-7-8-17)24-13-11-23(12-14-24)18-6-3-4-9-21-18/h3-4,6,9,17H,2,5,7-8,10-16H2,1H3,(H,20,22)
InChIKeyTZYKQDNDRYXLAW-UHFFFAOYSA-N
XLogP1.99
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(4-ethoxybutyl)-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219436
N-ethyl-N'-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219550
N-ethyl-N'-(3-propan-2-yloxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220639
N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N-cyclopropyl-4-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]butanamide
CID 111219601
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N-ethyl-N'-[4-(4-methylpiperidin-1-yl)butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219441
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219293
N-ethyl-4-pyridin-2-yl-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111221185
N-ethyl-4-pyridin-2-yl-N'-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111219166
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220173
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111219663) is N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\CCCOCC1CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is TZYKQDNDRYXLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-20-19(22-10-5-15-25-16-17-7-8-17)24-13-11-23(12-14-24)18-6-3-4-9-21-18/h3-4,6,9,17H,2,5,7-8,10-16H2,1H3,(H,20,22).
What are the key properties of N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 345.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111219663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).