3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane

C16H25N3O — CID 64950976

IUPAC3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
SMILESCOc1ccc(CN2CCCNC(C)(C3CC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-16(14-5-6-14)12-19(9-3-8-18-16)11-13-4-7-15(20-2)17-10-13/h4,7,10,14,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyZCXPIHAIVKVDHV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds4

About 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane

3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane (PubChem CID 64950976) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
PubChem CID64950976
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
SMILESCOc1ccc(CN2CCCNC(C)(C3CC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-16(14-5-6-14)12-19(9-3-8-18-16)11-13-4-7-15(20-2)17-10-13/h4,7,10,14,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyZCXPIHAIVKVDHV-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64869909
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64871682
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
5-[(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644972
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-3-methyl-1,4-diazepane
CID 64872286
1-[(2-chlorophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64871685
1-[(2-bromophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64872279
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 114268902

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane (CID 64950976) is 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane is COc1ccc(CN2CCCNC(C)(C3CC3)C2)cn1.
What is the InChIKey of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
The InChIKey is ZCXPIHAIVKVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(14-5-6-14)12-19(9-3-8-18-16)11-13-4-7-15(20-2)17-10-13/h4,7,10,14,18H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane has a molecular weight of 275.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane is sourced from PubChem (CID 64950976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).