(5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one

C18H33N3O — CID 171358977

IUPAC(5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one
SMILESCN1C[C@@H](CN2CCCN(C3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C18H33N3O/c1-19-14-16(8-9-18(19)22)15-20-10-5-11-21(13-12-20)17-6-3-2-4-7-17/h16-17H,2-15H2,1H3/t16-/m0/s1
InChIKeyRKSATBAZFAVFJD-INIZCTEOSA-N
MW307.48 g/mol
LogP2.20
Rot. Bonds3

About (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one

(5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one (PubChem CID 171358977) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one
PubChem CID171358977
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name(5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one
SMILESCN1C[C@@H](CN2CCCN(C3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C18H33N3O/c1-19-14-16(8-9-18(19)22)15-20-10-5-11-21(13-12-20)17-6-3-2-4-7-17/h16-17H,2-15H2,1H3/t16-/m0/s1
InChIKeyRKSATBAZFAVFJD-INIZCTEOSA-N
XLogP2.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one?
The IUPAC name of (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one (CID 171358977) is (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one.
What is the SMILES notation for (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one?
The canonical SMILES for (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one is CN1C[C@@H](CN2CCCN(C3CCCCC3)CC2)CCC1=O.
What is the InChIKey of (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one?
The InChIKey is RKSATBAZFAVFJD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N3O/c1-19-14-16(8-9-18(19)22)15-20-10-5-11-21(13-12-20)17-6-3-2-4-7-17/h16-17H,2-15H2,1H3/t16-/m0/s1.
What are the key properties of (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one?
(5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one has a molecular weight of 307.48 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 171358977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).