(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide

C14H25N3O2 — CID 124972494

IUPAC(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C2CCCCC2)C[C@H](C(N)=O)C1
InChIInChI=1S/C14H25N3O2/c1-11(18)16-7-8-17(10-12(9-16)14(15)19)13-5-3-2-4-6-13/h12-13H,2-10H2,1H3,(H2,15,19)/t12-/m1/s1
InChIKeyKDLDHLQZTSSYJT-GFCCVEGCSA-N
MW267.37 g/mol
LogP0.58
Rot. Bonds2

About (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide

(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide (PubChem CID 124972494) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
PubChem CID124972494
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C2CCCCC2)C[C@H](C(N)=O)C1
InChIInChI=1S/C14H25N3O2/c1-11(18)16-7-8-17(10-12(9-16)14(15)19)13-5-3-2-4-6-13/h12-13H,2-10H2,1H3,(H2,15,19)/t12-/m1/s1
InChIKeyKDLDHLQZTSSYJT-GFCCVEGCSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide (CID 124972494) is (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide is CC(=O)N1CCN(C2CCCCC2)C[C@H](C(N)=O)C1.
What is the InChIKey of (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
The InChIKey is KDLDHLQZTSSYJT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(18)16-7-8-17(10-12(9-16)14(15)19)13-5-3-2-4-6-13/h12-13H,2-10H2,1H3,(H2,15,19)/t12-/m1/s1.
What are the key properties of (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124972494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).