2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide

C13H23N3O2 — CID 109130435

IUPAC2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-14-12(17)10-9-11(10)13(18)16-7-5-15(2)6-8-16/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyCPSQXBZQQMNCGR-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.08
Rot. Bonds4

About 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide

2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide (PubChem CID 109130435) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
PubChem CID109130435
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-14-12(17)10-9-11(10)13(18)16-7-5-15(2)6-8-16/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyCPSQXBZQQMNCGR-UHFFFAOYSA-N
XLogP-0.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(dimethylamino)ethyl)-2-oxopiperidine-3-carboxamide
CID 3623770
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CID 57400085
1-(cyclopropanecarbonyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501644
N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 16769085
4-Methyl-1-(piperazin-1-yl)pentan-1-one
CID 20596588
4-(4-Methylpentanoyl)piperazin-2-one
CID 40231374
1-(2-Methylcyclopropanecarbonyl)piperazine hydrochloride
CID 91641391
N-(cyclopropylmethyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 47021855
N-cyclopropyl-2-[2-(2-methylpropyl)-3-oxopiperazin-1-yl]acetamide
CID 121515957
1-(2-Methylcyclopropanecarbonyl)piperazine
CID 16228148
1-Methyl-4-[(methylamino)methyl]piperidin-2-one
CID 83694709
1-(2-aminoacetyl)-N-methylpiperidine-4-carboxamide
CID 43579507

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide (CID 109130435) is 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide is CCCNC(=O)C1CC1C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
The InChIKey is CPSQXBZQQMNCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-14-12(17)10-9-11(10)13(18)16-7-5-15(2)6-8-16/h10-11H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide?
2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 109130435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).