1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

C20H34N4O2 — CID 56739949

IUPAC1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCCn1ccnc1CN(C)CC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C20H34N4O2/c1-3-23-13-11-21-18(23)15-22(2)16-20(26)10-7-12-24(19(20)25)14-17-8-5-4-6-9-17/h11,13,17,26H,3-10,12,14-16H2,1-2H3
InChIKeyXWONFNIWVTTXQP-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.27
Rot. Bonds7

About 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 56739949) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID56739949
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCCn1ccnc1CN(C)CC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C20H34N4O2/c1-3-23-13-11-21-18(23)15-22(2)16-20(26)10-7-12-24(19(20)25)14-17-8-5-4-6-9-17/h11,13,17,26H,3-10,12,14-16H2,1-2H3
InChIKeyXWONFNIWVTTXQP-UHFFFAOYSA-N
XLogP2.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (CID 56739949) is 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is CCn1ccnc1CN(C)CC1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is XWONFNIWVTTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-23-13-11-21-18(23)15-22(2)16-20(26)10-7-12-24(19(20)25)14-17-8-5-4-6-9-17/h11,13,17,26H,3-10,12,14-16H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 362.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 56739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).