(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one

C18H33N3O2 — CID 29021771

IUPAC(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCN1CCN(C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C18H33N3O2/c1-19-10-12-20(13-11-19)15-18(23)8-5-9-21(17(18)22)14-16-6-3-2-4-7-16/h16,23H,2-15H2,1H3/t18-/m0/s1
InChIKeySCODHTZGRXYYID-SFHVURJKSA-N
MW323.48 g/mol
LogP1.17
Rot. Bonds4

About (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one

(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (PubChem CID 29021771) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
PubChem CID29021771
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCN1CCN(C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C18H33N3O2/c1-19-10-12-20(13-11-19)15-18(23)8-5-9-21(17(18)22)14-16-6-3-2-4-7-16/h16,23H,2-15H2,1H3/t18-/m0/s1
InChIKeySCODHTZGRXYYID-SFHVURJKSA-N
XLogP1.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
CID 42363388
1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
CID 45179446
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362
1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
CID 45219636
4-[4-[[(3R)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95191684
1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
CID 45189221
N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 56758793
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
CID 26327978
4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 45208360
(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one
CID 42213735
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (CID 29021771) is (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one is CN1CCN(C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The InChIKey is SCODHTZGRXYYID-SFHVURJKSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-19-10-12-20(13-11-19)15-18(23)8-5-9-21(17(18)22)14-16-6-3-2-4-7-16/h16,23H,2-15H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one has a molecular weight of 323.48 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 29021771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).