[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone

C14H20N4O — CID 95751558

IUPAC[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCN(CC2CC2)CC1
InChIInChI=1S/C14H20N4O/c19-14(13-10-15-4-5-16-13)18-7-1-6-17(8-9-18)11-12-2-3-12/h4-5,10,12H,1-3,6-9,11H2
InChIKeyDAEUFXUVTGFEIR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.03
Rot. Bonds3

About [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone

[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95751558) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
PubChem CID95751558
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCN(CC2CC2)CC1
InChIInChI=1S/C14H20N4O/c19-14(13-10-15-4-5-16-13)18-7-1-6-17(8-9-18)11-12-2-3-12/h4-5,10,12H,1-3,6-9,11H2
InChIKeyDAEUFXUVTGFEIR-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
[(3aR,6aS)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97457905
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110664962
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
[4-[(4-methylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 138810371
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
[9-(cyclohexylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155834627

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone (CID 95751558) is [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is DAEUFXUVTGFEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14(13-10-15-4-5-16-13)18-7-1-6-17(8-9-18)11-12-2-3-12/h4-5,10,12H,1-3,6-9,11H2.
What are the key properties of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95751558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).