(6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

C18H33N3O3 — CID 124993790

IUPAC(6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESNC(=O)[C@@H]1CN(CC2(O)CCCCC2)CCN(C2CCOCC2)C1
InChIInChI=1S/C18H33N3O3/c19-17(22)15-12-20(14-18(23)6-2-1-3-7-18)8-9-21(13-15)16-4-10-24-11-5-16/h15-16,23H,1-14H2,(H2,19,22)/t15-/m1/s1
InChIKeyQAGNWDPMEIWBQR-OAHLLOKOSA-N
MW339.48 g/mol
LogP0.58
Rot. Bonds4

About (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

(6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide (PubChem CID 124993790) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
PubChem CID124993790
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
SMILESNC(=O)[C@@H]1CN(CC2(O)CCCCC2)CCN(C2CCOCC2)C1
InChIInChI=1S/C18H33N3O3/c19-17(22)15-12-20(14-18(23)6-2-1-3-7-18)8-9-21(13-15)16-4-10-24-11-5-16/h15-16,23H,1-14H2,(H2,19,22)/t15-/m1/s1
InChIKeyQAGNWDPMEIWBQR-OAHLLOKOSA-N
XLogP0.58
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide with MolForge

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Related Compounds

1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63631721
1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 63723420
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 65212460
1-ethylsulfonyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127247881
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
(6R)-1-(oxan-4-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4-diazepane-6-carboxamide
CID 124977669
1-[(4-fluoropiperidin-1-yl)methyl]cyclopentan-1-ol
CID 126846312
(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125011765
(6S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125025309
ethane;methyl 1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidine-3-carboxylate
CID 144839973

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide (CID 124993790) is (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide is NC(=O)[C@@H]1CN(CC2(O)CCCCC2)CCN(C2CCOCC2)C1.
What is the InChIKey of (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
The InChIKey is QAGNWDPMEIWBQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H33N3O3/c19-17(22)15-12-20(14-18(23)6-2-1-3-7-18)8-9-21(13-15)16-4-10-24-11-5-16/h15-16,23H,1-14H2,(H2,19,22)/t15-/m1/s1.
What are the key properties of (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide?
(6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124993790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).