(7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione

C16H27N3O2 — CID 97134929

IUPAC(7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione
SMILESO=C1CN(C2CCNCC2)C(=O)C[C@H](C2CCCCC2)N1
InChIInChI=1S/C16H27N3O2/c20-15-11-19(13-6-8-17-9-7-13)16(21)10-14(18-15)12-4-2-1-3-5-12/h12-14,17H,1-11H2,(H,18,20)/t14-/m1/s1
InChIKeyKYTUYIBEQRZBLO-CQSZACIVSA-N
MW293.41 g/mol
LogP1.04
Rot. Bonds2

About (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione

(7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione (PubChem CID 97134929) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name(7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione
PubChem CID97134929
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione
SMILESO=C1CN(C2CCNCC2)C(=O)C[C@H](C2CCCCC2)N1
InChIInChI=1S/C16H27N3O2/c20-15-11-19(13-6-8-17-9-7-13)16(21)10-14(18-15)12-4-2-1-3-5-12/h12-14,17H,1-11H2,(H,18,20)/t14-/m1/s1
InChIKeyKYTUYIBEQRZBLO-CQSZACIVSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,4-dichlorophenyl)-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride
CID 75365673
(4aR,9aS)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-2-one
CID 18639715
(3aR)-1-(azepan-4-yl)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 143591945
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
(5S)-5-cyclopentylpyrrolidin-2-one
CID 15156533
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 42609658
3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione
CID 82002901
4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
CID 168662980
2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one
CID 59731888
1-piperidin-4-yl-1,4-diazepan-2-one
CID 89310976
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
CID 168718088
(5S)-5-cyclopentylpyrazolidin-3-one
CID 171390161

Frequently Asked Questions

What is the IUPAC name of (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione?
The IUPAC name of (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione (CID 97134929) is (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione is O=C1CN(C2CCNCC2)C(=O)C[C@H](C2CCCCC2)N1.
What is the InChIKey of (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione?
The InChIKey is KYTUYIBEQRZBLO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15-11-19(13-6-8-17-9-7-13)16(21)10-14(18-15)12-4-2-1-3-5-12/h12-14,17H,1-11H2,(H,18,20)/t14-/m1/s1.
What are the key properties of (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione?
(7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione has a molecular weight of 293.41 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-cyclohexyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 97134929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).