[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H35N5O — CID 141128819

IUPAC[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCNC(CN3CCCCC3)C2)CC1
InChIInChI=1S/C18H35N5O/c1-16(2)21-10-12-22(13-11-21)18(24)23-9-6-19-17(15-23)14-20-7-4-3-5-8-20/h16-17,19H,3-15H2,1-2H3
InChIKeyNNCRRIMGNCPRTA-UHFFFAOYSA-N
MW337.51 g/mol
LogP0.89
Rot. Bonds3

About [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 141128819) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID141128819
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCNC(CN3CCCCC3)C2)CC1
InChIInChI=1S/C18H35N5O/c1-16(2)21-10-12-22(13-11-21)18(24)23-9-6-19-17(15-23)14-20-7-4-3-5-8-20/h16-17,19H,3-15H2,1-2H3
InChIKeyNNCRRIMGNCPRTA-UHFFFAOYSA-N
XLogP0.89
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 141128819) is [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)N2CCNC(CN3CCCCC3)C2)CC1.
What is the InChIKey of [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is NNCRRIMGNCPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c1-16(2)21-10-12-22(13-11-21)18(24)23-9-6-19-17(15-23)14-20-7-4-3-5-8-20/h16-17,19H,3-15H2,1-2H3.
What are the key properties of [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 337.51 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 141128819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).