N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C14H25N3O3 — CID 108972855

IUPACN-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-16-7-9-17(10-8-16)13(19)14(4-5-14)12(18)15-6-3-11-20-2/h3-11H2,1-2H3,(H,15,18)
InChIKeyNJWXKVPDESYJLV-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds6

About N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108972855) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108972855
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-16-7-9-17(10-8-16)13(19)14(4-5-14)12(18)15-6-3-11-20-2/h3-11H2,1-2H3,(H,15,18)
InChIKeyNJWXKVPDESYJLV-UHFFFAOYSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972894
N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972905
1-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971184
ethyl 4-[1-(butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971033
N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970977
ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978683
1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970400
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972930
1-(morpholine-4-carbonyl)-N-pentylcyclopropane-1-carboxamide
CID 108973097
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 86998998

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108972855) is N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COCCCNC(=O)C1(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is NJWXKVPDESYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16-7-9-17(10-8-16)13(19)14(4-5-14)12(18)15-6-3-11-20-2/h3-11H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108972855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).