N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C18H26N4O3 — CID 108972905

IUPACN-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C18H26N4O3/c1-25-14-4-9-20-16(23)18(6-7-18)17(24)22-12-10-21(11-13-22)15-5-2-3-8-19-15/h2-3,5,8H,4,6-7,9-14H2,1H3,(H,20,23)
InChIKeyDUEYYWPDXDBHCJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.66
Rot. Bonds7

About N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108972905) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108972905
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C18H26N4O3/c1-25-14-4-9-20-16(23)18(6-7-18)17(24)22-12-10-21(11-13-22)15-5-2-3-8-19-15/h2-3,5,8H,4,6-7,9-14H2,1H3,(H,20,23)
InChIKeyDUEYYWPDXDBHCJ-UHFFFAOYSA-N
XLogP0.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978920
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
N-[(2-fluorophenyl)methyl]-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975668
N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972855
N-phenyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978927
N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108976801
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
N-benzyl-N-methyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975525
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972894

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108972905) is N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COCCCNC(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is DUEYYWPDXDBHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-14-4-9-20-16(23)18(6-7-18)17(24)22-12-10-21(11-13-22)15-5-2-3-8-19-15/h2-3,5,8H,4,6-7,9-14H2,1H3,(H,20,23).
What are the key properties of N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108972905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).