(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H29N3O — CID 165146139

IUPAC(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)12-17-8-10-18(11-9-17)15(19)14-4-6-16(3)7-5-14/h13-14H,4-12H2,1-3H3
InChIKeyNHSJBVPBXICUFF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.13
Rot. Bonds3

About (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 165146139) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID165146139
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)12-17-8-10-18(11-9-17)15(19)14-4-6-16(3)7-5-14/h13-14H,4-12H2,1-3H3
InChIKeyNHSJBVPBXICUFF-UHFFFAOYSA-N
XLogP1.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62778021
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 97015920
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 165146139) is (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)C2CCN(C)CC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is NHSJBVPBXICUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)12-17-8-10-18(11-9-17)15(19)14-4-6-16(3)7-5-14/h13-14H,4-12H2,1-3H3.
What are the key properties of (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 165146139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).