1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one

C16H30N2O2 — CID 45186279

IUPAC1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
SMILESCC(C)NCC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C16H30N2O2/c1-13(2)17-12-16(20)9-6-10-18(15(16)19)11-14-7-4-3-5-8-14/h13-14,17,20H,3-12H2,1-2H3
InChIKeyKWXQLIJPPGRXGV-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one

1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one (PubChem CID 45186279) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
PubChem CID45186279
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
SMILESCC(C)NCC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C16H30N2O2/c1-13(2)17-12-16(20)9-6-10-18(15(16)19)11-14-7-4-3-5-8-14/h13-14,17,20H,3-12H2,1-2H3
InChIKeyKWXQLIJPPGRXGV-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one (CID 45186279) is 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one is CC(C)NCC1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one?
The InChIKey is KWXQLIJPPGRXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)17-12-16(20)9-6-10-18(15(16)19)11-14-7-4-3-5-8-14/h13-14,17,20H,3-12H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one?
1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one has a molecular weight of 282.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one is sourced from PubChem (CID 45186279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).