3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one

C14H27N3O — CID 120849320

IUPAC3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1CC1CCNCC1
InChIInChI=1S/C14H27N3O/c1-11(2)9-13-14(18)16-7-8-17(13)10-12-3-5-15-6-4-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyOFQHCTXJMUJZRQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.83
Rot. Bonds4

About 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one

3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one (PubChem CID 120849320) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
PubChem CID120849320
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1CC1CCNCC1
InChIInChI=1S/C14H27N3O/c1-11(2)9-13-14(18)16-7-8-17(13)10-12-3-5-15-6-4-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyOFQHCTXJMUJZRQ-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one?
The IUPAC name of 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one (CID 120849320) is 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1CC1CCNCC1.
What is the InChIKey of 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one?
The InChIKey is OFQHCTXJMUJZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)9-13-14(18)16-7-8-17(13)10-12-3-5-15-6-4-12/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one?
3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one has a molecular weight of 253.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one is sourced from PubChem (CID 120849320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).