(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone

C14H27N3O2 — CID 66256881

IUPAC(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-3-5-15-13-11-19-10-12(13)14(18)17-7-4-6-16(2)8-9-17/h12-13,15H,3-11H2,1-2H3
InChIKeyYJFCQIRUKUEFEK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds4

About (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone

(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 66256881) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID66256881
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-3-5-15-13-11-19-10-12(13)14(18)17-7-4-6-16(2)8-9-17/h12-13,15H,3-11H2,1-2H3
InChIKeyYJFCQIRUKUEFEK-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256555
[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 66254425
(4-ethyl-4-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256554
(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 107392404
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 66256744
[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 81203463
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114172275
1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 66265829
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 66260265
(2-ethylpyrrolidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66255960
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 114797463
1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66256153

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (CID 66256881) is (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)N1CCCN(C)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is YJFCQIRUKUEFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-15-13-11-19-10-12(13)14(18)17-7-4-6-16(2)8-9-17/h12-13,15H,3-11H2,1-2H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 269.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 66256881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).