(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone

C14H27N3O — CID 63620867

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
SMILESCCN1CCN(C(=O)C2NCCCC2C)CC1C
InChIInChI=1S/C14H27N3O/c1-4-16-8-9-17(10-12(16)3)14(18)13-11(2)6-5-7-15-13/h11-13,15H,4-10H2,1-3H3
InChIKeyMESWBZVRQDYDFR-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds2

About (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone

(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone (PubChem CID 63620867) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
PubChem CID63620867
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
SMILESCCN1CCN(C(=O)C2NCCCC2C)CC1C
InChIInChI=1S/C14H27N3O/c1-4-16-8-9-17(10-12(16)3)14(18)13-11(2)6-5-7-15-13/h11-13,15H,4-10H2,1-3H3
InChIKeyMESWBZVRQDYDFR-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901147
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
[3-(dimethylamino)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 55224694
(3-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62340471
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
2-[4-(3-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107068136
(4-methoxypiperidin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 62339458
(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102780010
(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 63007381
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
CID 107067784

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone (CID 63620867) is (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone is CCN1CCN(C(=O)C2NCCCC2C)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
The InChIKey is MESWBZVRQDYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-16-8-9-17(10-12(16)3)14(18)13-11(2)6-5-7-15-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 63620867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).