(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide

C14H27N3O — CID 124990516

IUPAC(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN(C2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-15-14(18)12-10-16(2)8-9-17(11-12)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyPCJSTLRZJZAAJW-GFCCVEGCSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds2

About (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide

(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide (PubChem CID 124990516) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide
PubChem CID124990516
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN(C2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-15-14(18)12-10-16(2)8-9-17(11-12)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyPCJSTLRZJZAAJW-GFCCVEGCSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide
CID 67057849
(6S)-1-(cyclobutanecarbonyl)-N-methyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124993939
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 166167704
1-(4-hydroxycyclohexyl)-N-methylpiperidine-3-carboxamide
CID 103198801
(6R)-1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124973963
1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 110098458
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1,4-diazepane-6-carboxamide
CID 110107391
(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124995488
N,1-dimethyl-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 127245336

Frequently Asked Questions

What is the IUPAC name of (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide (CID 124990516) is (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide is CNC(=O)[C@@H]1CN(C)CCN(C2CCCCC2)C1.
What is the InChIKey of (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The InChIKey is PCJSTLRZJZAAJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N3O/c1-15-14(18)12-10-16(2)8-9-17(11-12)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide?
(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124990516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).