(4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one

C19H30N4O2 — CID 143899427

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one
SMILESO=C([C@H]1CCCN1)N1CCCN(C2CCC2)CC1.O=c1cccc[nH]1
InChIInChI=1S/C14H25N3O.C5H5NO/c18-14(13-6-2-7-15-13)17-9-3-8-16(10-11-17)12-4-1-5-12;7-5-3-1-2-4-6-5/h12-13,15H,1-11H2;1-4H,(H,6,7)/t13-;/m1./s1
InChIKeyQXKPCBYRSQXNRF-BTQNPOSSSA-N
MW346.48 g/mol
LogP1.20
Rot. Bonds2

About (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one

(4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one (PubChem CID 143899427) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one
PubChem CID143899427
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one
SMILESO=C([C@H]1CCCN1)N1CCCN(C2CCC2)CC1.O=c1cccc[nH]1
InChIInChI=1S/C14H25N3O.C5H5NO/c18-14(13-6-2-7-15-13)17-9-3-8-16(10-11-17)12-4-1-5-12;7-5-3-1-2-4-6-5/h12-13,15H,1-11H2;1-4H,(H,6,7)/t13-;/m1./s1
InChIKeyQXKPCBYRSQXNRF-BTQNPOSSSA-N
XLogP1.20
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one with MolForge

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Related Compounds

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pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
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(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
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[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
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1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
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CID 119868355
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(2R)-piperidin-2-yl]methanone
CID 104913916
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azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one (CID 143899427) is (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one is O=C([C@H]1CCCN1)N1CCCN(C2CCC2)CC1.O=c1cccc[nH]1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one?
The InChIKey is QXKPCBYRSQXNRF-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H25N3O.C5H5NO/c18-14(13-6-2-7-15-13)17-9-3-8-16(10-11-17)12-4-1-5-12;7-5-3-1-2-4-6-5/h12-13,15H,1-11H2;1-4H,(H,6,7)/t13-;/m1./s1.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one?
(4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;1H-pyridin-2-one is sourced from PubChem (CID 143899427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).