N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide

C13H25N3O2 — CID 81331120

IUPACN,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(C)CCN2CCNCC2)O1
InChIInChI=1S/C13H25N3O2/c1-11-3-4-12(18-11)13(17)15(2)9-10-16-7-5-14-6-8-16/h11-12,14H,3-10H2,1-2H3
InChIKeyKRODYJJFAKPIMH-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds4

About N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide

N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide (PubChem CID 81331120) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
PubChem CID81331120
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(C)CCN2CCNCC2)O1
InChIInChI=1S/C13H25N3O2/c1-11-3-4-12(18-11)13(17)15(2)9-10-16-7-5-14-6-8-16/h11-12,14H,3-10H2,1-2H3
InChIKeyKRODYJJFAKPIMH-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 104856250
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 63265290
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 63265616
N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806598
N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide
CID 107202647
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
1-(2,6-dimethylmorpholin-4-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]ethanone
CID 63265431
3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447660
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide (CID 81331120) is N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide is CC1CCC(C(=O)N(C)CCN2CCNCC2)O1.
What is the InChIKey of N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
The InChIKey is KRODYJJFAKPIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11-3-4-12(18-11)13(17)15(2)9-10-16-7-5-14-6-8-16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide?
N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 81331120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).