1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one

C14H24N2O3 — CID 164637243

IUPAC1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCO[C@H]1CCCN(C(=O)CCN2CCCCC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-19-12-5-4-9-16(11-12)14(18)7-10-15-8-3-2-6-13(15)17/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyNHHSKIJRTJNMSW-LBPRGKRZSA-N
MW268.36 g/mol
LogP1.03
Rot. Bonds4

About 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one

1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one (PubChem CID 164637243) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one
PubChem CID164637243
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCO[C@H]1CCCN(C(=O)CCN2CCCCC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-19-12-5-4-9-16(11-12)14(18)7-10-15-8-3-2-6-13(15)17/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyNHHSKIJRTJNMSW-LBPRGKRZSA-N
XLogP1.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The IUPAC name of 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one (CID 164637243) is 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one is CO[C@H]1CCCN(C(=O)CCN2CCCCC2=O)C1.
What is the InChIKey of 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The InChIKey is NHHSKIJRTJNMSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-19-12-5-4-9-16(11-12)14(18)7-10-15-8-3-2-6-13(15)17/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one?
1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 164637243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).